diff --git a/.github/workflows/tests-labs.yml b/.github/workflows/tests-labs.yml
index 31ff245186c..10d4ff96f86 100644
--- a/.github/workflows/tests-labs.yml
+++ b/.github/workflows/tests-labs.yml
@@ -67,5 +67,5 @@ jobs:
       python_version: '3.10'
       pytest_test_directory: pennylane/labs/tests
       additional_pip_packages: |
-        geometric mpi4py
+        geometric mpi4py h5py
         ${{ needs.default-dependency-versions.outputs.jax-version }}
diff --git a/doc/releases/changelog-dev.md b/doc/releases/changelog-dev.md
index d3b6b6714c9..40d89717935 100644
--- a/doc/releases/changelog-dev.md
+++ b/doc/releases/changelog-dev.md
@@ -351,6 +351,9 @@ such as `shots`, `rng` and `prng_key`.
   symbolic operation classes.
   [(#6592)](https://github.com/PennyLaneAI/pennylane/pull/6592)
 
+* Added support to build a vibrational Hamiltonian in the Christiansen form.
+  [(#6560)](https://github.com/PennyLaneAI/pennylane/pull/6560)
+
 <h3>Breaking changes 💔</h3>
 
 * `qml.fourier.qnode_spectrum` no longer automatically converts pure numpy parameters to the
diff --git a/pennylane/labs/tests/resource_estimation/test_resource_operator.py b/pennylane/labs/tests/resource_estimation/test_resource_operator.py
index 27c8428de57..f88cb4f2caa 100644
--- a/pennylane/labs/tests/resource_estimation/test_resource_operator.py
+++ b/pennylane/labs/tests/resource_estimation/test_resource_operator.py
@@ -124,5 +124,5 @@ def resource_rep(cls, foo, bar):
         def tracking_name(foo, bar):
             return f"DummyClass({foo}, {bar})"
 
-    op = DummyClass()
+    op = DummyClass(wires=[1, 2, 3])
     assert op.resource_rep_from_op() == op.__class__.resource_rep(**op.resource_params())
diff --git a/pennylane/labs/tests/vibrational/test_christiansen_ham.py b/pennylane/labs/tests/vibrational/test_christiansen_ham.py
new file mode 100644
index 00000000000..7d13333c419
--- /dev/null
+++ b/pennylane/labs/tests/vibrational/test_christiansen_ham.py
@@ -0,0 +1,207 @@
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+"""Unit Tests for the Christiansen Hamiltonian construction functions."""
+
+from pathlib import Path
+
+import numpy as np
+import pytest
+
+from pennylane.bose.bosonic import BoseWord
+from pennylane.labs.tests.vibrational.test_ref_files.cform_ops_data import (
+    cform_coeffs_ref,
+    cform_dipole_ref_x,
+    cform_ham_ref,
+    cform_ops_ref,
+)
+from pennylane.labs.vibrational.christiansen_ham import (
+    christiansen_bosonic,
+    christiansen_dipole,
+    christiansen_hamiltonian,
+)
+from pennylane.labs.vibrational.christiansen_utils import (
+    _cform_onemode,
+    _cform_onemode_dipole,
+    _cform_threemode,
+    _cform_threemode_dipole,
+    _cform_twomode,
+    _cform_twomode_dipole,
+    christiansen_integrals,
+    christiansen_integrals_dipole,
+)
+from pennylane.qchem.vibrational.vibrational_class import VibrationalPES
+
+# Path is pennylane/labs/tests/vibrational/test_ref_files/H2S.hdf5
+cform_file = Path(__file__).resolve().parent / "test_ref_files" / "H2S.hdf5"
+
+# Path is pennylane/tests/qchem/vibrational/test_ref_files/H2S_3D_PES.hdf5
+pes_file = (
+    Path(__file__).resolve().parent.parent.parent.parent.parent
+    / "tests"
+    / "qchem"
+    / "vibrational"
+    / "test_ref_files"
+    / "H2S_3D_PES.hdf5"
+)
+
+h5py = pytest.importorskip("h5py")
+
+with h5py.File(pes_file, "r") as f:
+    pes_onemode = np.array(f["pes_onemode"][()])
+    pes_twomode = np.array(f["pes_twomode"][()])
+    pes_threemode = np.array(f["pes_threemode"][()])
+
+    dipole_onemode = np.array(f["dipole_onemode"][()])
+    dipole_twomode = np.array(f["dipole_twomode"][()])
+    dipole_threemode = np.array(f["dipole_threemode"][()])
+    pes_object_3D = VibrationalPES(
+        freqs=np.array(f["freqs"][()]),
+        grid=np.array(f["grid"][()]),
+        uloc=np.array(f["uloc"][()]),
+        gauss_weights=np.array(f["gauss_weights"][()]),
+        pes_data=[pes_onemode, pes_twomode, pes_threemode],
+        dipole_data=[dipole_onemode, dipole_twomode, dipole_threemode],
+        localized=f["localized"][()],
+        dipole_level=f["dipole_level"][()],
+    )
+
+    pes_object_2D = VibrationalPES(
+        freqs=np.array(f["freqs"][()]),
+        grid=np.array(f["grid"][()]),
+        uloc=np.array(f["uloc"][()]),
+        gauss_weights=np.array(f["gauss_weights"][()]),
+        pes_data=[pes_onemode, pes_twomode],
+        dipole_data=[dipole_onemode, dipole_twomode],
+        localized=f["localized"][()],
+        dipole_level=2,
+    )
+
+with h5py.File(cform_file, "r") as f:
+    H1 = f["H1"][()]
+    H2 = f["H2"][()]
+    H3 = f["H3"][()]
+    D1 = f["D1"][()]
+    D2 = f["D2"][()]
+    D3 = f["D3"][()]
+
+
+def test_christiansen_bosonic():
+    """Test that christiansen_bosonic produces the correct bosonic operator."""
+    christiansen_bos_op = christiansen_bosonic(one=H1, two=H2, three=H3)
+    christiansen_bos_op.simplify()
+
+    ops, coeffs = zip(*list(christiansen_bos_op.items()))
+
+    for i, ele in enumerate(cform_ops_ref):
+        cform_ops_ref[i] = BoseWord(ele)
+
+    assert list(ops) == cform_ops_ref
+    assert np.allclose(coeffs, cform_coeffs_ref, atol=1e-10)
+    assert len(christiansen_bos_op) == len(cform_ops_ref)
+
+
+def test_christiansen_hamiltonian():
+    """Test that christiansen_hamiltonian produces the expected hamiltonian."""
+    cform_ham = christiansen_hamiltonian(pes=pes_object_3D, n_states=4, cubic=True)
+    cform_ham.simplify()
+    assert len(cform_ham.pauli_rep) == 4160
+
+    # Tolerance is low here because values smaller than 1e-5 get converted to 0.0
+    # We only compare a small percentage of the Hamiltonian since there are many terms
+    assert all(
+        np.allclose(abs(cform_ham_ref.pauli_rep[term]), abs(coeff), atol=1e-4)
+        for term, coeff in list(cform_ham.pauli_rep.items())[:84]
+    )
+
+
+def test_christiansen_dipole():
+    """Test that christiansen_dipole produces the expected dipole operator coefficients."""
+    cform_dipole_x, _, _ = christiansen_dipole(pes=pes_object_2D, n_states=4)
+    assert len(cform_dipole_x.pauli_rep) == len(cform_dipole_ref_x)
+    assert all(
+        np.allclose(abs(cform_dipole_ref_x.pauli_rep[term]), abs(coeff), atol=1e-8)
+        for term, coeff in cform_dipole_x.pauli_rep.items()
+    )
+
+
+def test_christiansen_integrals():
+    """Test that christiansen_integrals produces the expected integrals."""
+    one, two, three = christiansen_integrals(pes=pes_object_3D, n_states=4, cubic=True)
+    assert np.allclose(abs(one), abs(H1), atol=1e-8)
+    assert np.allclose(abs(two), abs(H2), atol=1e-8)
+    assert np.allclose(abs(three), abs(H3), atol=1e-8)
+
+
+def test_christiansen_integrals_dipole():
+    """Test that christiansen_integrals_dipole produces the expected dipole integrals."""
+    one, two, three = christiansen_integrals_dipole(pes=pes_object_3D, n_states=4)
+    assert np.allclose(abs(one), abs(D1), atol=1e-8)
+    assert np.allclose(abs(two), abs(D2), atol=1e-8)
+    assert np.allclose(abs(three), abs(D3), atol=1e-8)
+
+
+def test_cform_onemode():
+    """Test that _cform_onemode produces the expected one-body integral."""
+    flattened_H1 = H1.ravel()
+    assert np.allclose(
+        abs(flattened_H1), abs(_cform_onemode(pes=pes_object_3D, n_states=4)), atol=1e-8
+    )
+
+
+def test_cform_onemode_dipole():
+    """Test that _cform_onemode_dipole produces the expected one-body dipole integral."""
+    flattened_D1 = D1.transpose(1, 2, 3, 0).ravel()
+    assert np.allclose(
+        abs(flattened_D1),
+        abs(_cform_onemode_dipole(pes=pes_object_3D, n_states=4).ravel()),
+        atol=1e-8,
+    )
+
+
+def test_cform_threemode():
+    """Test that _cform_threemode produces the expected three-body integral."""
+    flattened_H3 = H3.ravel()
+    assert np.allclose(
+        abs(flattened_H3), abs(_cform_threemode(pes=pes_object_3D, n_states=4)), atol=1e-8
+    )
+
+
+def test_cform_threemode_dipole():
+    """Test that _cform_threemode_dipole produces the expected three-body dipole integral."""
+    flattened_D3 = D3.transpose(1, 2, 3, 4, 5, 6, 7, 8, 9, 0).ravel()
+
+    assert np.allclose(
+        abs(flattened_D3),
+        abs(_cform_threemode_dipole(pes=pes_object_3D, n_states=4).ravel()),
+        atol=1e-8,
+    )
+
+
+def test_cform_twomode():
+    """Test that _cform_twomode produces the expected two-body integral."""
+    flattened_H2 = H2.ravel()
+    assert np.allclose(
+        abs(flattened_H2), abs(_cform_twomode(pes=pes_object_3D, n_states=4)), atol=1e-8
+    )
+
+
+def test_cform_twomode_dipole():
+    """Test that _cform_twomode_dipole produces the expected two-body dipole integral."""
+    flattened_D2 = D2.transpose(1, 2, 3, 4, 5, 6, 0).ravel()
+
+    assert np.allclose(
+        abs(flattened_D2),
+        abs(_cform_twomode_dipole(pes=pes_object_3D, n_states=4).ravel()),
+        atol=1e-8,
+    )
diff --git a/pennylane/labs/tests/vibrational/test_ref_files/H2S.hdf5 b/pennylane/labs/tests/vibrational/test_ref_files/H2S.hdf5
index 49a1f568a08..3ba9d54dfd0 100644
Binary files a/pennylane/labs/tests/vibrational/test_ref_files/H2S.hdf5 and b/pennylane/labs/tests/vibrational/test_ref_files/H2S.hdf5 differ
diff --git a/pennylane/labs/tests/vibrational/test_ref_files/cform_ops_data.py b/pennylane/labs/tests/vibrational/test_ref_files/cform_ops_data.py
new file mode 100644
index 00000000000..af39115077b
--- /dev/null
+++ b/pennylane/labs/tests/vibrational/test_ref_files/cform_ops_data.py
@@ -0,0 +1,24 @@
+# pylint: skip-file
+"""File that contains the Christiansen Bosonic Operator data generated via functions in vibrant."""
+# fmt: off
+
+# Reference generated from vibrant
+# mol = H2S
+# coords =[[0.0, -1.0, -1.0], [0.0, 1.0, -1.0], [0.0, 0.0, 0.0]]
+# localize = True
+# nbos = 4
+# quad_order = 9
+# cubic = True
+
+import pennylane as qml
+from pennylane import I, X, Y, Z
+
+cform_dipole_ref_x = (-2.6518472365848693e-15+0j) * I(0) + (5.231512994186281e-16+0j) * Z(0) + (2.542880234184204e-16+0j) * (X(0) @ X(1)) + (2.542880234184204e-16+0j) * (Y(0) @ Y(1)) + (-1.1162721877388691e-16+0j) * (X(0) @ X(3)) + (-1.1162721877388691e-16+0j) * (Y(0) @ Y(3)) + (4.604143266398318e-16+0j) * Z(1) + (1.6627355704339867e-16+0j) * (X(1) @ X(2)) + (1.6627355704339867e-16+0j) * (Y(1) @ Y(2)) + (-2.231892947937786e-16+0j) * (X(1) @ X(3)) + (-2.231892947937786e-16+0j) * (Y(1) @ Y(3)) + (7.651327571774157e-16+0j) * Z(2) + (2.7942617336823524e-16+0j) * (X(2) @ X(3)) + (2.7942617336823524e-16+0j) * (Y(2) @ Y(3)) + (4.781296487583635e-16+0j) * Z(3) + (8.580915109534789e-16+0j) * Z(4) + (7.562269752759566e-16+0j) * Z(5) + (1.0327813048495957e-16+0j) * (X(5) @ X(7)) + (1.0327813048495957e-16+0j) * (Y(5) @ Y(7)) + (6.806698824763521e-16+0j) * Z(6) + (-1.5804503402575176e-16+0j) * (X(6) @ X(7)) + (-1.5804503402575176e-16+0j) * (Y(6) @ Y(7)) + (7.048904306676044e-16+0j) * Z(7) + (6.028891254875598e-16+0j) * Z(8) + (-1.4479338840327965e-16+0j) * (X(8) @ X(9)) + (-1.4479338840327965e-16+0j) * (Y(8) @ Y(9)) + (5.400696271058938e-16+0j) * Z(9) + (-2.6195241515149916e-16+0j) * (X(9) @ X(10)) + (-2.6195241515149916e-16+0j) * (Y(9) @ Y(10)) + (-1.6517263777132821e-16+0j) * (X(9) @ X(11)) + (-1.6517263777132821e-16+0j) * (Y(9) @ Y(11)) + (7.737737173013819e-16+0j) * Z(10) + (-2.9841680124493666e-16+0j) * (X(10) @ X(11)) + (-2.9841680124493666e-16+0j) * (Y(10) @ Y(11)) + (5.673114145315437e-16+0j) * Z(11) + (-1.417219122238209e-16+0j) * (Z(4) @ Z(0)) + (-1.5028830314877766e-16+0j) * (Z(4) @ Z(1)) + (-1.6630269872614104e-16+0j) * (Z(4) @ Z(2)) + (-1.544054383335802e-16+0j) * (Z(4) @ Z(3)) + (-1.1783092593820503e-16+0j) * (Z(5) @ Z(0)) + (-1.2886274709952937e-16+0j) * (Z(5) @ Z(1)) + (-1.7008184266777882e-16+0j) * (Z(5) @ Z(2)) + (-1.322891937301575e-16+0j) * (Z(5) @ Z(3)) + (-1.0305348632760717e-16+0j) * (Z(6) @ Z(1)) + (-1.540948113828295e-16+0j) * (Z(6) @ Z(2)) + (-1.0106212567179117e-16+0j) * (Z(6) @ Z(3)) + (-1.0541890497265638e-16+0j) * (Z(7) @ Z(0)) + (-1.124757137141898e-16+0j) * (Z(7) @ Z(1)) + (-1.6155001288105276e-16+0j) * (Z(7) @ Z(2)) + (-1.150876000864211e-16+0j) * (Z(7) @ Z(3)) + (-1.0081817747212591e-16+0j) * (Z(8) @ Z(2)) + (-1.3918184381777135e-16+0j) * (Z(10) @ Z(2)) + (-1.192317226026623e-16+0j) * (Z(8) @ Z(4)) + (-1.0379867614366997e-16+0j) * (Z(8) @ Z(5)) + (-1.2133671928691889e-16+0j) * (Z(8) @ Z(6)) + (-1.1367872863077717e-16+0j) * (Z(8) @ Z(7)) + (-1.1381426767472763e-16+0j) * (Z(9) @ Z(4)) + (-1.0509635641516536e-16+0j) * (Z(9) @ Z(6)) + (-1.0287938401384091e-16+0j) * (Z(9) @ Z(7)) + (-1.4403795610415075e-16+0j) * (Z(10) @ Z(4)) + (-1.2834065599662114e-16+0j) * (Z(10) @ Z(5)) + (-1.1938103554078847e-16+0j) * (Z(10) @ Z(6)) + (-1.308324991275711e-16+0j) * (Z(10) @ Z(7)) + (-1.3464701178001461e-16+0j) * (Z(11) @ Z(4)) + (-1.1763125244216562e-16+0j) * (Z(11) @ Z(5)) + (-1.1458594577319893e-16+0j) * (Z(11) @ Z(6)) + (-1.125565230269862e-16+0j) * (Z(11) @ Z(7))
+
+cform_ham_ref = (0.12158879839117667+0j) * I(0) + (-0.001072102334637639+0j) * Z(0) + (0.0003847720426490841+0j) * X(0) @ X(1) + (0.0003847720426490841+0j) * Y(0) @ Y(1) + (-0.0005599494570718951+0j) * X(0) @ X(2)+ (-0.0005599494570718951+0j) * Y(0) @ Y(2)+ (-5.161327861175555e-05+0j) * X(0) @ X(3)+ (-5.161327861175555e-05+0j) * Y(0) @ Y(3)+ (-0.0032286582410233585+0j) * Z(1)+ (0.00045475302023556525+0j) * X(1) @ X(2)+ (0.00045475302023556525+0j) * Y(1) @ Y(2)+ (-0.000951438597926463+0j) * X(1) @ X(3)+ (-0.000951438597926463+0j) * Y(1) @ Y(3)+ (-0.005407776778806423+0j) * Z(2)+ (0.00045877433289070215+0j) * X(2) @ X(3)+ (0.00045877433289070215+0j) * Y(2) @ Y(3)+ (-0.0076053622806630545+0j) * Z(3)+ (-0.002973415271496148+0j) * Z(4)+ (-0.00038014039693310157+0j) * X(4) @ X(5)+ (-0.00038014039693310157+0j) * Y(4) @ Y(5)+ (-7.6093382655679e-05+0j) * X(4) @ X(6)+ (-7.6093382655679e-05+0j) * Y(4) @ Y(6)+ (-0.0004923064544964033+0j) * X(4) @ X(7)+ (-0.0004923064544964033+0j) * Y(4) @ Y(7)+ (-0.0090279419503943+0j) * Z(5)+ (-0.0013902994970305489+0j) * X(5) @ X(6)+ (-0.0013902994970305489+0j) * Y(5) @ Y(6)+ (4.6861483777813386e-05+0j) * X(5) @ X(7)+ (4.6861483777813386e-05+0j) * Y(5) @ Y(7)+ (-0.015301280431852894+0j) * Z(6)+ (-0.0027885151978164612+0j) * X(6) @ X(7)+ (-0.0027885151978164612+0j) * Y(6) @ Y(7)+ (-0.02180037115957325+0j) * Z(7)+ (-0.0029734152719922183+0j) * Z(8)+ (-0.0003801403103223346+0j) * X(8) @ X(9)+ (-0.0003801403103223346+0j) * Y(8) @ Y(9)+ (-7.609342587054646e-05+0j) * X(8) @ X(10)+ (-7.609342587054646e-05+0j) * Y(8) @ Y(10)+ (-0.0004923064469758595+0j) * X(8) @ X(11)+ (-0.0004923064469758595+0j) * Y(8) @ Y(11)+ (-0.009027941949651194+0j) * Z(9)+ (-0.0013902993615184653+0j) * X(9) @ X(10)+ (-0.0013902993615184653+0j) * Y(9) @ Y(10)+ (4.686140534481626e-05+0j) * X(9) @ X(11)+ (4.686140534481626e-05+0j) * Y(9) @ Y(11)+ (-0.015301280425482771+0j) * Z(10)+ (-0.0027885150148445146+0j) * X(10) @ X(11)+ (-0.0027885150148445146+0j) * Y(10) @ Y(11)+ (-0.021800371143145987+0j) * Z(11)+ (-1.1168223567475004e-05+0j) * Z(0) @ Z(4)+ (-1.7732336804124435e-05+0j) * Z(0) @ X(4) @ X(5)+ (-1.7732336804124435e-05+0j) * Z(0) @ Y(4) @ Y(5)+ (1.6762308716504556e-05+0j) * Z(0) @ X(4) @ X(6)+ (1.6762308716504556e-05+0j) * Z(0) @ Y(4) @ Y(6)+ (-4.975164827558381e-06+0j) * Z(0) @ X(4) @ X(7)+ (-4.975164827558381e-06+0j) * Z(0) @ Y(4) @ Y(7)+ (-3.4873707891040494e-05+0j) * Z(0) @ Z(5)+ (-3.369454945832113e-05+0j) * Z(0) @ X(5) @ X(6)+ (-3.369454945832113e-05+0j) * Z(0) @ Y(5) @ Y(6)+ (3.135068358769847e-05+0j) * Z(0) @ X(5) @ X(7)+ (3.135068358769847e-05+0j) * Z(0) @ Y(5) @ Y(7)+ (-6.141755466791186e-05+0j) * Z(0) @ Z(6)+ (-5.257317484578416e-05+0j) * Z(0) @ X(6) @ X(7)+ (-5.257317484578416e-05+0j) * Z(0) @ Y(6) @ Y(7)+ (-9.100819605583574e-05+0j) * Z(0) @ Z(7)+ (-1.1555826159989673e-05+0j) * X(0) @ Z(4) @ X(1)+ (-1.1555826159989673e-05+0j) * Y(0) @ Z(4) @ Y(1)+ (5.463476907417441e-06+0j) * X(0) @ X(4) @ X(1) @ X(5)+ (5.463476907417441e-06+0j) * X(0) @ Y(4) @ X(1) @ Y(5)+ (5.463476907417441e-06+0j) * Y(0) @ X(4) @ Y(1) @ X(5)+ (5.463476907417441e-06+0j) * Y(0) @ Y(4) @ Y(1) @ Y(5)+ (1.7246596888362173e-05+0j) * X(0) @ X(4) @ X(1) @ X(6)+ (1.7246596888362173e-05+0j) * X(0) @ Y(4) @ X(1) @ Y(6)+ (1.7246596888362173e-05+0j) * Y(0) @ X(4) @ Y(1) @ X(6)+ (1.7246596888362173e-05+0j) * Y(0) @ Y(4) @ Y(1) @ Y(6)+ (-5.7245947141705495e-06+0j) * X(0) @ X(4) @ X(1) @ X(7)+ (-5.7245947141705495e-06+0j) * X(0) @ Y(4) @ X(1) @ Y(7)+ (-5.7245947141705495e-06+0j) * Y(0) @ X(4) @ Y(1) @ X(7)+ (-5.7245947141705495e-06+0j) * Y(0) @ Y(4) @ Y(1) @ Y(7)+ (-3.59461973842931e-05+0j) * X(0) @ Z(5) @ X(1)+ (-3.59461973842931e-05+0j) * Y(0) @ Z(5) @ Y(1)+ (-2.1887657575016547e-06+0j) * X(0) @ X(5) @ X(1) @ X(6)+ (-2.1887657575016547e-06+0j) * X(0) @ Y(5) @ X(1) @ Y(6)+ (-2.1887657575016547e-06+0j) * Y(0) @ X(5) @ Y(1) @ X(6)
+
+
+cform_ops_ref = [{(0, 0): '+', (1, 0): '-'}, {(0, 0): '+', (1, 1): '-'}, {(0, 0): '+', (1, 2): '-'}, {(0, 0): '+', (1, 3): '-'}, {(0, 1): '+', (1, 0): '-'}, {(0, 1): '+', (1, 1): '-'}, {(0, 1): '+', (1, 2): '-'}, {(0, 1): '+', (1, 3): '-'}, {(0, 2): '+', (1, 0): '-'}, {(0, 2): '+', (1, 1): '-'}, {(0, 2): '+', (1, 2): '-'}, {(0, 2): '+', (1, 3): '-'}, {(0, 3): '+', (1, 0): '-'}, {(0, 3): '+', (1, 1): '-'}, {(0, 3): '+', (1, 2): '-'}, {(0, 3): '+', (1, 3): '-'}, {(0, 4): '+', (1, 4): '-'}, {(0, 4): '+', (1, 5): '-'}, {(0, 4): '+', (1, 6): '-'}, {(0, 4): '+', (1, 7): '-'}, {(0, 5): '+', (1, 4): '-'}, {(0, 5): '+', (1, 5): '-'}, {(0, 5): '+', (1, 6): '-'}, {(0, 5): '+', (1, 7): '-'}, {(0, 6): '+', (1, 4): '-'}, {(0, 6): '+', (1, 5): '-'}, {(0, 6): '+', (1, 6): '-'}, {(0, 6): '+', (1, 7): '-'}, {(0, 7): '+', (1, 4): '-'}, {(0, 7): '+', (1, 5): '-'}, {(0, 7): '+', (1, 6): '-'}, {(0, 7): '+', (1, 7): '-'}, {(0, 8): '+', (1, 8): '-'}, {(0, 8): '+', (1, 9): '-'}, {(0, 8): '+', (1, 10): '-'}, {(0, 8): '+', (1, 11): '-'}, {(0, 9): '+', (1, 8): '-'}, {(0, 9): '+', (1, 9): '-'}, {(0, 9): '+', (1, 10): '-'}, {(0, 9): '+', (1, 11): '-'}, {(0, 10): '+', (1, 8): '-'}, {(0, 10): '+', (1, 9): '-'}, {(0, 10): '+', (1, 10): '-'}, {(0, 10): '+', (1, 11): '-'}, {(0, 11): '+', (1, 8): '-'}, {(0, 11): '+', (1, 9): '-'}, {(0, 11): '+', (1, 10): '-'}, {(0, 11): '+', (1, 11): '-'}, {(0, 4): '+', (1, 0): '+', (2, 4): '-', (3, 0): '-'}, {(0, 4): '+', (1, 0): '+', (2, 4): '-', (3, 1): '-'}, {(0, 4): '+', (1, 0): '+', (2, 4): '-', (3, 2): '-'}, {(0, 4): '+', (1, 0): '+', (2, 4): '-', (3, 3): '-'}, {(0, 4): '+', (1, 1): '+', (2, 4): '-', (3, 0): '-'}, {(0, 4): '+', (1, 1): '+', (2, 4): '-', (3, 1): '-'}, {(0, 4): '+', (1, 1): '+', (2, 4): '-', (3, 2): '-'}, {(0, 4): '+', (1, 1): '+', (2, 4): '-', (3, 3): '-'}, {(0, 4): '+', (1, 2): '+', (2, 4): '-', (3, 0): '-'}, {(0, 4): '+', (1, 2): '+', (2, 4): '-', (3, 1): '-'}, {(0, 4): '+', (1, 2): '+', (2, 4): '-', (3, 2): '-'}, {(0, 4): '+', (1, 2): '+', (2, 4): '-', (3, 3): '-'}, {(0, 4): '+', (1, 3): '+', (2, 4): '-', (3, 0): '-'}, {(0, 4): '+', (1, 3): '+', (2, 4): '-', (3, 1): '-'}, {(0, 4): '+', (1, 3): '+', (2, 4): '-', (3, 2): '-'}, {(0, 4): '+', (1, 3): '+', (2, 4): '-', (3, 3): '-'}, {(0, 4): '+', (1, 0): '+', (2, 5): '-', (3, 0): '-'}, {(0, 4): '+', (1, 0): '+', (2, 5): '-', (3, 1): '-'}, {(0, 4): '+', (1, 0): '+', (2, 5): '-', (3, 2): '-'}, {(0, 4): '+', (1, 0): '+', (2, 5): '-', (3, 3): '-'}, {(0, 4): '+', (1, 1): '+', (2, 5): '-', (3, 0): '-'}, {(0, 4): '+', (1, 1): '+', (2, 5): '-', (3, 1): '-'}, {(0, 4): '+', (1, 1): '+', (2, 5): '-', (3, 2): '-'}, {(0, 4): '+', (1, 1): '+', (2, 5): '-', (3, 3): '-'}, {(0, 4): '+', (1, 2): '+', (2, 5): '-', (3, 0): '-'}, {(0, 4): '+', (1, 2): '+', (2, 5): '-', (3, 1): '-'}, {(0, 4): '+', (1, 2): '+', (2, 5): '-', (3, 2): '-'}, {(0, 4): '+', (1, 2): '+', (2, 5): '-', (3, 3): '-'}, {(0, 4): '+', (1, 3): '+', (2, 5): '-', (3, 0): '-'}, {(0, 4): '+', (1, 3): '+', (2, 5): '-', (3, 1): '-'}, {(0, 4): '+', (1, 3): '+', (2, 5): '-', (3, 2): '-'}, {(0, 4): '+', (1, 3): '+', (2, 5): '-', (3, 3): '-'}, {(0, 4): '+', (1, 0): '+', (2, 6): '-', (3, 0): '-'}, {(0, 4): '+', (1, 0): '+', (2, 6): '-', (3, 1): '-'}, {(0, 4): '+', (1, 0): '+', (2, 6): '-', (3, 2): '-'}, {(0, 4): '+', (1, 0): '+', (2, 6): '-', (3, 3): '-'}, {(0, 4): '+', (1, 1): '+', (2, 6): '-', (3, 0): '-'}, {(0, 4): '+', (1, 1): '+', (2, 6): '-', (3, 1): '-'}, {(0, 4): '+', (1, 1): '+', (2, 6): '-', (3, 2): '-'}, {(0, 4): '+', (1, 1): '+', (2, 6): '-', (3, 3): '-'}, {(0, 4): '+', (1, 2): '+', (2, 6): '-', (3, 0): '-'}, {(0, 4): '+', (1, 2): '+', (2, 6): '-', (3, 1): '-'}, {(0, 4): '+', (1, 2): '+', (2, 6): '-', (3, 2): '-'}, {(0, 4): '+', (1, 2): '+', (2, 6): '-', (3, 3): '-'}, {(0, 4): '+', (1, 3): '+', (2, 6): '-', (3, 0): '-'}, {(0, 4): '+', (1, 3): '+', (2, 6): '-', (3, 1): '-'}, {(0, 4): '+', (1, 3): '+', (2, 6): '-', (3, 2): '-'}, {(0, 4): '+', (1, 3): '+', (2, 6): '-', (3, 3): '-'}, {(0, 4): '+', (1, 0): '+', (2, 7): '-', (3, 0): '-'}, {(0, 4): '+', (1, 0): '+', (2, 7): '-', (3, 1): '-'}, {(0, 4): '+', (1, 0): '+', (2, 7): '-', (3, 2): '-'}, {(0, 4): '+', (1, 0): '+', (2, 7): '-', (3, 3): '-'}, {(0, 4): '+', (1, 1): '+', (2, 7): '-', (3, 0): '-'}, {(0, 4): '+', (1, 1): '+', (2, 7): '-', (3, 1): '-'}, {(0, 4): '+', (1, 1): '+', (2, 7): '-', (3, 2): '-'}, {(0, 4): '+', (1, 1): '+', (2, 7): '-', (3, 3): '-'}, {(0, 4): '+', (1, 2): '+', (2, 7): '-', (3, 0): '-'}, {(0, 4): '+', (1, 2): '+', (2, 7): '-', (3, 1): '-'}, {(0, 4): '+', (1, 2): '+', (2, 7): '-', (3, 2): '-'}, {(0, 4): '+', (1, 2): '+', (2, 7): '-', (3, 3): '-'}, {(0, 4): '+', (1, 3): '+', (2, 7): '-', (3, 0): '-'}, {(0, 4): '+', (1, 3): '+', (2, 7): '-', (3, 1): '-'}, {(0, 4): '+', (1, 3): '+', (2, 7): '-', (3, 2): '-'}, {(0, 4): '+', (1, 3): '+', (2, 7): '-', (3, 3): '-'}, {(0, 5): '+', (1, 0): '+', (2, 4): '-', (3, 0): '-'}, {(0, 5): '+', (1, 0): '+', (2, 4): '-', (3, 1): '-'}, {(0, 5): '+', (1, 0): '+', (2, 4): '-', (3, 2): '-'}, 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+
+# fmt: on
diff --git a/pennylane/labs/vibrational/christiansen_ham.py b/pennylane/labs/vibrational/christiansen_ham.py
new file mode 100644
index 00000000000..1cd7ca766ae
--- /dev/null
+++ b/pennylane/labs/vibrational/christiansen_ham.py
@@ -0,0 +1,220 @@
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+"""The functions related to the construction of the Christiansen form Hamiltonian."""
+
+import numpy as np
+
+from pennylane.bose import BoseSentence, BoseWord, christiansen_mapping
+
+from .christiansen_utils import christiansen_integrals, christiansen_integrals_dipole
+
+# pylint: disable = too-many-branches, too-many-positional-arguments, too-many-arguments, too-many-nested-blocks,
+
+
+def christiansen_bosonic(one, modes=None, modals=None, two=None, three=None, ordered=True):
+    r"""Return Christiansen bosonic vibrational Hamiltonian.
+
+    The construction of the Hamiltonian is based on Eqs. 19-21 of
+    `J. Chem. Theory Comput. 2023, 19, 24, 9329–9343 <https://pubs.acs.org/doi/10.1021/acs.jctc.3c00902?ref=PDF>`_.
+
+    Args:
+        one (TensorLike[float]): one-body matrix elements
+        modes (int): number of vibrational modes. If ``None``, it is obtained from the length of ``one``.
+        modals (list(int)): number of allowed vibrational modals for each mode. If ``None``, it is obtained from the shape of ``one``.
+        two (TensorLike[float]): two-body matrix elements
+        three (TensorLike[float]): three-body matrix elements
+        cutoff (float): tolerance for discarding the negligible coefficients
+        ordered (bool): indicates if matrix elements are already ordered. Default is ``True``.
+
+    Returns:
+        pennylane.bose.BoseSentence: the constructed bosonic operator
+    """
+    if modes is None:
+        modes = np.shape(one)[0]
+
+    if modals is None:
+        imax = np.shape(one)[1]
+        modals = imax * np.ones(modes, dtype=int)
+
+    idx = {}  # dictionary mapping the tuple (l,n) to an index in the qubit register
+    counter = 0
+    for l in range(modes):
+        for n in range(modals[l]):
+            key = (l, n)
+            idx[key] = counter
+            counter += 1
+
+    obs = {}  # second-quantized Hamiltonian
+
+    # one-body terms
+    for l in range(modes):
+        for k_l in range(modals[l]):
+            for h_l in range(modals[l]):
+                (i0, i1) = ((l, k_l), (l, h_l))
+                w = BoseWord({(0, idx[i0]): "+", (1, idx[i1]): "-"})
+                obs[w] = one[l, k_l, h_l]
+
+    # two-body terms
+    if not two is None:
+        for l in range(modes):
+            if ordered is False:
+                m_range = [p for p in range(modes) if p != l]
+            else:
+                m_range = range(l)
+            for m in m_range:
+                for k_l in range(modals[l]):
+                    for h_l in range(modals[l]):
+                        for k_m in range(modals[m]):
+                            for h_m in range(modals[m]):
+                                (i0, i1, i2, i3) = (
+                                    (l, k_l),
+                                    (m, k_m),
+                                    (l, h_l),
+                                    (m, h_m),
+                                )
+                                w = BoseWord(
+                                    {
+                                        (0, idx[i0]): "+",
+                                        (1, idx[i1]): "+",
+                                        (2, idx[i2]): "-",
+                                        (3, idx[i3]): "-",
+                                    }
+                                )
+                                obs[w] = two[l, m, k_l, k_m, h_l, h_m]
+
+    # three-body terms
+    if not three is None:
+        for l in range(modes):
+            if not ordered:
+                m_range = [p for p in range(modes) if p != l]
+            else:
+                m_range = range(l)
+            for m in m_range:
+                if not ordered:
+                    n_range = [p for p in range(modes) if p not in (l, m)]
+                else:
+                    n_range = range(m)
+                for n in n_range:
+                    for k_l in range(modals[l]):
+                        for h_l in range(modals[l]):
+                            for k_m in range(modals[m]):
+                                for h_m in range(modals[m]):
+                                    for k_n in range(modals[n]):
+                                        for h_n in range(modals[n]):
+                                            (i0, i1, i2, i3, i4, i5) = (
+                                                (l, k_l),
+                                                (m, k_m),
+                                                (n, k_n),
+                                                (l, h_l),
+                                                (m, h_m),
+                                                (n, h_n),
+                                            )
+                                            w = BoseWord(
+                                                {
+                                                    (0, idx[i0]): "+",
+                                                    (1, idx[i1]): "+",
+                                                    (2, idx[i2]): "+",
+                                                    (3, idx[i3]): "-",
+                                                    (4, idx[i4]): "-",
+                                                    (5, idx[i5]): "-",
+                                                }
+                                            )
+                                            obs[w] = three[l, m, n, k_l, k_m, k_n, h_l, h_m, h_n]
+
+    obs_sq = BoseSentence(obs)
+
+    return obs_sq
+
+
+def christiansen_hamiltonian(pes, n_states=16, cubic=False, wire_map=None, tol=1e-12):
+    r"""Return Christiansen vibrational Hamiltonian.
+
+    The construction of the Hamiltonian is based on Eqs. 19-21 of
+    `J. Chem. Theory Comput. 2023, 19, 24, 9329–9343 <https://pubs.acs.org/doi/10.1021/acs.jctc.3c00902?ref=PDF>`_.
+
+    where the bosonic creation and annihilation operators are mapped to the Pauli operators as
+
+    .. math::
+
+        b^\dagger_0 = \left(\frac{X_0 - iY_0}{2}\right), \:\: \text{...,} \:\:
+        b^\dagger_n = \left(\frac{X_n - iY_n}{2}\right),
+
+    and
+
+    .. math::
+
+        b_0 = \left(\frac{X_0 + iY_0}{2}\right), \:\: \text{...,} \:\:
+        b_n = \left(\frac{X_n + iY_n}{2}\right),
+
+    where :math:`X`, :math:`Y`, and :math:`Z` are the Pauli operators.
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+        cubic(bool): Flag to include three-mode couplings. Default is ``False``.
+        wire_map (dict): A dictionary defining how to map the states of the Bose operator to qubit
+            wires. If ``None``, integers used to label the bosonic states will be used as wire labels.
+            Defaults to ``None``.
+        tol (float): tolerance for discarding the imaginary part of the coefficients
+
+    Returns:
+        Operator: the Christiansen Hamiltonian in the qubit basis
+    """
+
+    h_arr = christiansen_integrals(pes, n_states=n_states, cubic=cubic)
+
+    one = h_arr[0]
+    two = h_arr[1]
+    three = h_arr[2] if len(h_arr) == 3 else None
+    cform_bosonic = christiansen_bosonic(one=one, two=two, three=three)
+    cform_qubit = christiansen_mapping(bose_operator=cform_bosonic, wire_map=wire_map, tol=tol)
+
+    return cform_qubit
+
+
+def christiansen_dipole(pes, n_states=16):
+    """Return Christiansen dipole operator.
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        tuple: a tuple containing:
+            - Operator: the Christiansen dipole operator in the qubit basis for x-displacements
+            - Operator: the Christiansen dipole operator in the qubit basis for y-displacements
+            - Operator: the Christiansen dipole operator in the qubit basis for z-displacements
+    """
+
+    d_arr = christiansen_integrals_dipole(pes, n_states=n_states)
+
+    one_x = d_arr[0][0, :, :, :]
+    two_x = d_arr[1][0, :, :, :, :, :, :] if len(d_arr) > 1 else None
+    three_x = d_arr[2][0, :, :, :, :, :, :, :, :, :] if len(d_arr) == 3 else None
+    cform_bosonic_x = christiansen_bosonic(one=one_x, two=two_x, three=three_x)
+    cform_qubit_x = christiansen_mapping(cform_bosonic_x)
+
+    one_y = d_arr[0][1, :, :, :]
+    two_y = d_arr[1][1, :, :, :, :, :, :] if len(d_arr) > 1 else None
+    three_y = d_arr[2][1, :, :, :, :, :, :, :, :, :] if len(d_arr) == 3 else None
+    cform_bosonic_y = christiansen_bosonic(one=one_y, two=two_y, three=three_y)
+    cform_qubit_y = christiansen_mapping(cform_bosonic_y)
+
+    one_z = d_arr[0][2, :, :, :]
+    two_z = d_arr[1][2, :, :, :, :, :, :] if len(d_arr) > 1 else None
+    three_z = d_arr[2][2, :, :, :, :, :, :, :, :, :] if len(d_arr) == 3 else None
+    cform_bosonic_z = christiansen_bosonic(one=one_z, two=two_z, three=three_z)
+    cform_qubit_z = christiansen_mapping(cform_bosonic_z)
+
+    return cform_qubit_x, cform_qubit_y, cform_qubit_z
diff --git a/pennylane/labs/vibrational/christiansen_utils.py b/pennylane/labs/vibrational/christiansen_utils.py
new file mode 100644
index 00000000000..93ef5c7e275
--- /dev/null
+++ b/pennylane/labs/vibrational/christiansen_utils.py
@@ -0,0 +1,893 @@
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+"""Utility functions related to the construction of the taylor form Hamiltonian."""
+import itertools
+import subprocess
+
+import h5py
+import numpy as np
+from mpi4py import MPI
+from scipy.special import factorial
+
+comm = MPI.COMM_WORLD
+rank = comm.Get_rank()
+size = comm.Get_size()
+
+# pylint: disable = redefined-outer-name,
+
+
+def _cform_onemode_kinetic(freqs, n_states):
+    """Calculates the kinetic energy part of the one body integrals to correct the integrals
+    for localized modes
+
+    Args:
+        freqs(int): the harmonic frequencies
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the kinetic energy part of the one body integrals
+    """
+    # action of kinetic energy operator for m=1,...,M modes with frequencies freqs[m]
+    nmodes = len(freqs)
+    all_mode_combos = [[aa] for aa in range(nmodes)]
+    all_bos_combos = list(itertools.product(range(n_states), range(n_states)))
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_K_mat = np.zeros(len(all_mode_combos) * chunksize)
+    for nn, [ii] in enumerate(all_mode_combos):
+        ii = int(ii)
+        m_const = freqs[ii] / 4
+
+        for mm, [ki, hi] in enumerate(boscombos_on_rank):
+            ind = nn * len(boscombos_on_rank) + mm
+
+            if ki == hi:
+                local_K_mat[ind] += m_const * (2 * ki + 1)
+            elif ki == hi + 2:
+                local_K_mat[ind] -= m_const * np.sqrt((hi + 2) * (hi + 1))
+            elif ki == hi - 2:
+                local_K_mat[ind] -= m_const * np.sqrt((hi - 1) * hi)
+    return local_K_mat
+
+
+def _cform_twomode_kinetic(pes, n_states):
+    """Calculates the kinetic energy part of the two body integrals to correct the integrals
+    for localized modes
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the kinetic energy part of the two body integrals
+    """
+    nmodes = len(pes.freqs)
+
+    all_mode_combos = [[aa, bb] for aa in range(nmodes) for bb in range(nmodes)]
+    all_bos_combos = list(
+        itertools.product(range(n_states), range(n_states), range(n_states), range(n_states))
+    )
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_kin_cform_twobody = np.zeros(len(all_mode_combos) * chunksize)
+
+    for nn, (ii, jj) in enumerate(all_mode_combos):
+        ii, jj = int(ii), int(jj)
+
+        # TODO: Skip unnecessary combinations
+        if jj >= ii:
+            continue
+
+        Usum = np.einsum("i,i->", pes.uloc[:, ii], pes.uloc[:, jj])
+        m_const = Usum * np.sqrt(pes.freqs[ii] * pes.freqs[jj]) / 4
+
+        for mm, (ki, kj, hi, hj) in enumerate(boscombos_on_rank):
+            ind = nn * len(boscombos_on_rank) + mm
+            ki, kj, hi, hj = int(ki), int(kj), int(hi), int(hj)
+
+            conditions = {
+                (ki == hi + 1 and kj == hj + 1): -m_const * np.sqrt((hi + 1) * (hj + 1)),
+                (ki == hi + 1 and kj == hj - 1): +m_const * np.sqrt((hi + 1) * hj),
+                (ki == hi - 1 and kj == hj + 1): +m_const * np.sqrt(hi * (hj + 1)),
+                (ki == hi - 1 and kj == hj - 1): -m_const * np.sqrt(hi * hj),
+            }
+
+            for condition, value in conditions.items():
+                if condition:
+                    local_kin_cform_twobody[ind] += value
+
+    return local_kin_cform_twobody
+
+
+def _cform_onemode(pes, n_states):
+    """
+    Calculates the one-body integrals from the given potential energy surface data for the
+    Christiansen Hamiltonian.
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the one-body integrals for the Christiansen Hamiltonian
+    """
+
+    nmodes = len(pes.freqs)
+    all_mode_combos = [[aa] for aa in range(nmodes)]
+    all_bos_combos = list(itertools.product(range(n_states), range(n_states)))
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_ham_cform_onebody = np.zeros(len(all_mode_combos) * chunksize)
+
+    for nn, ii in enumerate(all_mode_combos):
+
+        for mm, (ki, hi) in enumerate(boscombos_on_rank):
+            sqrt = (2 ** (ki + hi) * factorial(ki) * factorial(hi) * np.pi) ** (-0.5)
+            order_k = np.zeros(n_states)
+            order_k[ki] = 1.0
+            order_h = np.zeros(n_states)
+            order_h[hi] = 1.0
+            hermite_ki = np.polynomial.hermite.Hermite(order_k, [-1, 1])(pes.grid)
+            hermite_hi = np.polynomial.hermite.Hermite(order_h, [-1, 1])(pes.grid)
+            quadrature = np.sum(
+                pes.gauss_weights * pes.pes_onemode[ii, :] * hermite_ki * hermite_hi
+            )
+            full_coeff = sqrt * quadrature
+            ind = nn * len(boscombos_on_rank) + mm
+            local_ham_cform_onebody[ind] += full_coeff
+
+    return local_ham_cform_onebody + _cform_onemode_kinetic(pes.freqs, n_states)
+
+
+def _cform_onemode_dipole(pes, n_states):
+    """
+    Calculates the one-body integrals from the given potential energy surface data for the
+    Christiansen dipole operator
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the one-body integrals for the Christiansen dipole operator
+    """
+
+    nmodes = pes.dipole_onemode.shape[0]
+    all_mode_combos = [[aa] for aa in range(nmodes)]
+    all_bos_combos = list(itertools.product(range(n_states), range(n_states)))
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_dipole_cform_onebody = np.zeros((len(all_mode_combos) * chunksize, 3))
+
+    for nn, ii in enumerate(all_mode_combos):
+
+        for mm, (ki, hi) in enumerate(boscombos_on_rank):
+            ki, hi = int(ki), int(hi)
+            sqrt = (2 ** (ki + hi) * factorial(ki) * factorial(hi) * np.pi) ** (-0.5)
+            order_k = np.zeros(n_states)
+            order_k[ki] = 1.0
+            order_h = np.zeros(n_states)
+            order_h[hi] = 1.0
+            hermite_ki = np.polynomial.hermite.Hermite(order_k, [-1, 1])(pes.grid)
+            hermite_hi = np.polynomial.hermite.Hermite(order_h, [-1, 1])(pes.grid)
+            ind = nn * len(boscombos_on_rank) + mm
+            for alpha in range(3):
+                quadrature = np.sum(
+                    pes.gauss_weights * pes.dipole_onemode[ii, :, alpha] * hermite_ki * hermite_hi
+                )
+                full_coeff = sqrt * quadrature  # * 219475 for converting into cm^-1
+                local_dipole_cform_onebody[ind, alpha] += full_coeff
+
+    return local_dipole_cform_onebody
+
+
+def _cform_twomode(pes, n_states):
+    """
+    Calculates the two-body integrals from the given potential energy surface data for the
+    Christiansen Hamiltonian
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the two-body integrals for the Christiansen Hamiltonian
+    """
+
+    nmodes = pes.pes_twomode.shape[0]
+
+    all_mode_combos = [[aa, bb] for aa in range(nmodes) for bb in range(nmodes)]
+    all_bos_combos = list(
+        itertools.product(range(n_states), range(n_states), range(n_states), range(n_states))
+    )
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_ham_cform_twobody = np.zeros(len(all_mode_combos) * chunksize)
+    for nn, (ii, jj) in enumerate(all_mode_combos):
+        # TODO: Skip unnecessary combinations
+        if jj >= ii:
+            continue
+
+        for mm, (ki, kj, hi, hj) in enumerate(boscombos_on_rank):
+            ki, kj, hi, hj = int(ki), int(kj), int(hi), int(hj)
+
+            sqrt = (
+                2 ** (ki + kj + hi + hj)
+                * factorial(ki)
+                * factorial(kj)
+                * factorial(hi)
+                * factorial(hj)
+            ) ** (-0.5) / np.pi
+
+            orders = [np.zeros(n_states) for _ in range(4)]
+            orders[0][ki] = 1.0
+            orders[1][kj] = 1.0
+            orders[2][hi] = 1.0
+            orders[3][hj] = 1.0
+            hermite_polys = [
+                np.polynomial.hermite.Hermite(order, [-1, 1])(pes.grid) for order in orders
+            ]
+
+            quadrature = np.einsum(
+                "a,b,a,b,ab,a,b->",
+                pes.gauss_weights,
+                pes.gauss_weights,
+                hermite_polys[0],
+                hermite_polys[1],
+                pes.pes_twomode[ii, jj, :, :],
+                hermite_polys[2],
+                hermite_polys[3],
+            )
+            full_coeff = sqrt * quadrature  # * 219475 for cm^-1 conversion
+            ind = nn * len(boscombos_on_rank) + mm
+            local_ham_cform_twobody[ind] += full_coeff
+
+    return local_ham_cform_twobody
+
+
+def _cform_twomode_dipole(pes, n_states):
+    """
+    Calculates the one-body integrals from the given potential energy surface data for the
+    Christiansen dipole operator
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the one-body integrals for the Christiansen dipole operator
+    """
+
+    nmodes = pes.dipole_twomode.shape[0]
+
+    all_mode_combos = [[aa, bb] for aa in range(nmodes) for bb in range(nmodes)]
+    all_bos_combos = list(
+        itertools.product(range(n_states), range(n_states), range(n_states), range(n_states))
+    )
+
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_dipole_cform_twobody = np.zeros((len(all_mode_combos) * chunksize, 3))
+
+    for nn, (ii, jj) in enumerate(all_mode_combos):
+        # TODO: Skip unnecessary combinations
+        if jj >= ii:
+            continue
+        for mm, (ki, kj, hi, hj) in enumerate(boscombos_on_rank):
+            ki, kj, hi, hj = int(ki), int(kj), int(hi), int(hj)
+            sqrt = (
+                2 ** (ki + kj + hi + hj)
+                * factorial(ki)
+                * factorial(kj)
+                * factorial(hi)
+                * factorial(hj)
+            ) ** (-0.5) / np.pi
+            orders = [np.zeros(n_states) for _ in range(4)]
+            orders[0][ki], orders[1][kj], orders[2][hi], orders[3][hj] = 1.0, 1.0, 1.0, 1.0
+            hermite_polys = [
+                np.polynomial.hermite.Hermite(order, [-1, 1])(pes.grid) for order in orders
+            ]
+            ind = nn * len(boscombos_on_rank) + mm
+            for alpha in range(3):
+                quadrature = np.einsum(
+                    "a,b,a,b,ab,a,b->",
+                    pes.gauss_weights,
+                    pes.gauss_weights,
+                    hermite_polys[0],
+                    hermite_polys[1],
+                    pes.dipole_twomode[ii, jj, :, :, alpha],
+                    hermite_polys[2],
+                    hermite_polys[3],
+                )
+                full_coeff = sqrt * quadrature
+                local_dipole_cform_twobody[ind, alpha] += full_coeff
+
+    return local_dipole_cform_twobody
+
+
+def _cform_threemode(pes, n_states):
+    """
+    Calculates the three-body integrals from the given potential energy surface data for the
+    Christiansen Hamiltonian
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the three-body integrals for the Christiansen Hamiltonian
+    """
+    nmodes = pes.pes_threemode.shape[0]
+
+    all_mode_combos = [
+        [aa, bb, cc] for aa in range(nmodes) for bb in range(nmodes) for cc in range(nmodes)
+    ]
+
+    all_bos_combos = list(
+        itertools.product(
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+        )
+    )
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_ham_cform_threebody = np.zeros(len(all_mode_combos) * chunksize)
+    for nn, (ii1, ii2, ii3) in enumerate(all_mode_combos):
+        # TODO: Skip unnecessary combinations
+        if ii2 >= ii1 or ii3 >= ii2:
+            continue
+        for mm, (k1, k2, k3, h1, h2, h3) in enumerate(boscombos_on_rank):
+            k1, k2, k3, h1, h2, h3 = int(k1), int(k2), int(k3), int(h1), int(h2), int(h3)
+            sqrt = (
+                2 ** (k1 + k2 + k3 + h1 + h2 + h3)
+                * factorial(k1)
+                * factorial(k2)
+                * factorial(k3)
+                * factorial(h1)
+                * factorial(h2)
+                * factorial(h3)
+            ) ** (-0.5) / (np.pi**1.5)
+            orders = [np.zeros(n_states) for _ in range(6)]
+            orders[0][k1], orders[1][k2], orders[2][k3] = 1.0, 1.0, 1.0
+            orders[3][h1], orders[4][h2], orders[5][h3] = 1.0, 1.0, 1.0
+            hermite_polys = [
+                np.polynomial.hermite.Hermite(order, [-1, 1])(pes.grid) for order in orders
+            ]
+            quadrature = np.einsum(
+                "a,b,c,a,b,c,abc,a,b,c->",
+                pes.gauss_weights,
+                pes.gauss_weights,
+                pes.gauss_weights,
+                hermite_polys[0],
+                hermite_polys[1],
+                hermite_polys[2],
+                pes.pes_threemode[ii1, ii2, ii3, :, :, :],
+                hermite_polys[3],
+                hermite_polys[4],
+                hermite_polys[5],
+            )
+            full_coeff = sqrt * quadrature
+            ind = nn * len(boscombos_on_rank) + mm
+            local_ham_cform_threebody[ind] = full_coeff
+
+    return local_ham_cform_threebody
+
+
+def _cform_threemode_dipole(pes, n_states):
+    """
+    Calculates the one-body integrals from the given potential energy surface data for the
+    Christiansen dipole operator
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the one-body integrals for the Christiansen dipole operator
+    """
+    nmodes = pes.dipole_threemode.shape[0]
+
+    all_mode_combos = [
+        [aa, bb, cc] for aa in range(nmodes) for bb in range(nmodes) for cc in range(nmodes)
+    ]
+    all_bos_combos = list(
+        itertools.product(
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+            range(n_states),
+        )
+    )
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+    boscombos_on_rank = np.array_split(all_bos_combos, size)[rank]
+    chunksize = len(boscombos_on_rank)
+
+    local_dipole_cform_threebody = np.zeros((len(all_mode_combos) * chunksize, 3))
+
+    for nn, (ii1, ii2, ii3) in enumerate(all_mode_combos):
+        # TODO: Skip unnecessary combinations
+        if ii2 >= ii1 or ii3 >= ii2:
+            continue
+        for mm, (k1, k2, k3, h1, h2, h3) in enumerate(boscombos_on_rank):
+            k1, k2, k3, h1, h2, h3 = int(k1), int(k2), int(k3), int(h1), int(h2), int(h3)
+            sqrt = (
+                2 ** (k1 + k2 + k3 + h1 + h2 + h3)
+                * factorial(k1)
+                * factorial(k2)
+                * factorial(k3)
+                * factorial(h1)
+                * factorial(h2)
+                * factorial(h3)
+            ) ** (-0.5) / (np.pi**1.5)
+            orders = [np.zeros(n_states) for _ in range(6)]
+            orders[0][k1], orders[1][k2], orders[2][k3] = 1.0, 1.0, 1.0
+            orders[3][h1], orders[4][h2], orders[5][h3] = 1.0, 1.0, 1.0
+            hermite_polys = [
+                np.polynomial.hermite.Hermite(order, [-1, 1])(pes.grid) for order in orders
+            ]
+            ind = nn * len(boscombos_on_rank) + mm
+            for alpha in range(3):
+                quadrature = np.einsum(
+                    "a,b,c,a,b,c,abc,a,b,c->",
+                    pes.gauss_weights,
+                    pes.gauss_weights,
+                    pes.gauss_weights,
+                    hermite_polys[0],
+                    hermite_polys[1],
+                    hermite_polys[2],
+                    pes.dipole_threemode[ii1, ii2, ii3, :, :, :, alpha],
+                    hermite_polys[3],
+                    hermite_polys[4],
+                    hermite_polys[5],
+                )
+                full_coeff = sqrt * quadrature
+                local_dipole_cform_threebody[ind, alpha] = full_coeff
+
+    return local_dipole_cform_threebody
+
+
+def _load_cform_onemode(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine pes_onemode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: one-body integrals for Christiansen Hamiltonian
+    """
+    final_shape = (nmodes, quad_order, quad_order)
+    nmode_combos = int(nmodes)
+
+    ham_cform_onebody = np.zeros(np.prod(final_shape))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros(quad_order**2)
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_H1data" + f"_{rank}" + ".hdf5", "r+")
+            local_ham_cform_onebody = f["H1"][()]
+            chunk = np.array_split(local_ham_cform_onebody, nmode_combos)[mode_combo]  #
+            l1 += len(chunk)
+            local_chunk[l0:l1] = chunk
+            l0 += len(chunk)
+
+        r1 += len(local_chunk)
+        ham_cform_onebody[r0:r1] = local_chunk
+        r0 += len(local_chunk)
+
+    ham_cform_onebody = ham_cform_onebody.reshape(final_shape)
+
+    return ham_cform_onebody
+
+
+def _load_cform_twomode(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine pes_twomode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: two-body integrals for Christiansen Hamiltonian
+    """
+    final_shape = (nmodes, nmodes, quad_order, quad_order, quad_order, quad_order)
+    nmode_combos = nmodes**2
+
+    ham_cform_twobody = np.zeros(np.prod(final_shape))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros(quad_order**4)
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_H2data" + f"_{rank}" + ".hdf5", "r+")
+            local_ham_cform_twobody = f["H2"][()]
+            chunk = np.array_split(local_ham_cform_twobody, nmode_combos)[mode_combo]  #
+            l1 += len(chunk)
+            local_chunk[l0:l1] = chunk
+            l0 += len(chunk)
+
+        r1 += len(local_chunk)
+        ham_cform_twobody[r0:r1] = local_chunk
+        r0 += len(local_chunk)
+
+    ham_cform_twobody = ham_cform_twobody.reshape(final_shape)
+
+    return ham_cform_twobody
+
+
+def _load_cform_threemode(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine pes_threemode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: three-body integrals for Christiansen Hamiltonian
+    """
+    final_shape = (
+        nmodes,
+        nmodes,
+        nmodes,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+    )
+    nmode_combos = nmodes**3
+
+    ham_cform_threebody = np.zeros(np.prod(final_shape))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros(quad_order**6)
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_H3data" + f"_{rank}" + ".hdf5", "r+")
+            local_ham_cform_threebody = f["H3"][()]  # 64 * 4096
+            chunk = np.array_split(local_ham_cform_threebody, nmode_combos)[mode_combo]  #
+            l1 += len(chunk)
+            local_chunk[l0:l1] = chunk
+            l0 += len(chunk)
+
+        r1 += len(local_chunk)
+        ham_cform_threebody[r0:r1] = local_chunk
+        r0 += len(local_chunk)
+
+    ham_cform_threebody = ham_cform_threebody.reshape(final_shape)
+
+    return ham_cform_threebody
+
+
+def _load_cform_onemode_dipole(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine dipole_onemode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: one-body integrals for Christiansen dipole operator
+    """
+    final_shape = (nmodes, quad_order, quad_order)
+    nmode_combos = int(nmodes)
+
+    dipole_cform_onebody = np.zeros((np.prod(final_shape), 3))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros((quad_order**2, 3))
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_D1data" + f"_{rank}" + ".hdf5", "r+")
+            local_dipole_cform_onebody = f["D1"][()]
+            chunk = np.array_split(local_dipole_cform_onebody, nmode_combos, axis=0)[mode_combo]  #
+            l1 += chunk.shape[0]
+            local_chunk[l0:l1, :] = chunk
+            l0 += chunk.shape[0]
+
+        r1 += local_chunk.shape[0]
+        dipole_cform_onebody[r0:r1, :] = local_chunk
+        r0 += local_chunk.shape[0]
+
+    dipole_cform_onebody = dipole_cform_onebody.reshape(final_shape + (3,))
+
+    return dipole_cform_onebody.transpose(3, 0, 1, 2)
+
+
+def _load_cform_twomode_dipole(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine dipole_twomode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: two-body integrals for Christiansen dipole operator
+    """
+    final_shape = (nmodes, nmodes, quad_order, quad_order, quad_order, quad_order)
+    nmode_combos = int(nmodes**2)
+
+    dipole_cform_twobody = np.zeros((np.prod(final_shape), 3))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros((quad_order**4, 3))
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_D2data" + f"_{rank}" + ".hdf5", "r+")
+            local_dipole_cform_twobody = f["D2"][()]
+            chunk = np.array_split(local_dipole_cform_twobody, nmode_combos, axis=0)[mode_combo]  #
+            l1 += chunk.shape[0]
+            local_chunk[l0:l1, :] = chunk
+            l0 += chunk.shape[0]
+
+        r1 += local_chunk.shape[0]
+        dipole_cform_twobody[r0:r1, :] = local_chunk
+        r0 += local_chunk.shape[0]
+
+    dipole_cform_twobody = dipole_cform_twobody.reshape(final_shape + (3,))
+
+    return dipole_cform_twobody.transpose(6, 0, 1, 2, 3, 4, 5)
+
+
+def _load_cform_threemode_dipole(num_proc, nmodes, quad_order):
+    """
+    Loader to collect and combine dipole_threemode from multiple processors.
+
+    Args:
+        num_proc (int): number of processors
+        nmodes (int): number of normal modes
+        quad_order (int): order for Gauss-Hermite quadratures
+
+    Returns:
+        TensorLike[float]: three-body integrals for Christiansen dipole operator
+    """
+    final_shape = (
+        nmodes,
+        nmodes,
+        nmodes,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+        quad_order,
+    )
+    nmode_combos = int(nmodes**3)
+
+    dipole_cform_threebody = np.zeros((np.prod(final_shape), 3))
+    r0 = 0
+    r1 = 0
+    for mode_combo in range(nmode_combos):
+        local_chunk = np.zeros((quad_order**6, 3))
+
+        l0 = 0
+        l1 = 0
+        for rank in range(num_proc):
+            f = h5py.File("cform_D3data" + f"_{rank}" + ".hdf5", "r+")
+            local_dipole_cform_threebody = f["D3"][()]
+            chunk = np.array_split(local_dipole_cform_threebody, nmode_combos, axis=0)[
+                mode_combo
+            ]  #
+            l1 += chunk.shape[0]
+            local_chunk[l0:l1, :] = chunk
+            l0 += chunk.shape[0]
+
+        r1 += local_chunk.shape[0]
+        dipole_cform_threebody[r0:r1, :] = local_chunk
+        r0 += local_chunk.shape[0]
+
+    dipole_cform_threebody = dipole_cform_threebody.reshape(final_shape + (3,))
+
+    return dipole_cform_threebody.transpose(9, 0, 1, 2, 3, 4, 5, 6, 7, 8)
+
+
+def christiansen_integrals(pes, n_states=16, cubic=False):
+    r"""Compute Christiansen vibrational Hamiltonian integrals.
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+        cubic(bool): Flag to include three-mode couplings. Default is ``False``.
+
+    Returns:
+        TensorLike[float]: the integrals for the Christiansen Hamiltonian
+    """
+
+    local_ham_cform_onebody = _cform_onemode(pes, n_states)
+    comm.Barrier()
+
+    f = h5py.File("cform_H1data" + f"_{rank}" + ".hdf5", "w")
+    f.create_dataset("H1", data=local_ham_cform_onebody)
+    f.close()
+    comm.Barrier()
+
+    ham_cform_onebody = None
+    if rank == 0:
+        ham_cform_onebody = _load_cform_onemode(size, len(pes.freqs), n_states)
+        process = subprocess.Popen("rm " + "cform_H1data*", stdout=subprocess.PIPE, shell=True)
+        _, _ = process.communicate()
+
+    comm.Barrier()
+    ham_cform_onebody = comm.bcast(ham_cform_onebody, root=0)
+
+    local_ham_cform_twobody = _cform_twomode(pes, n_states)
+    if pes.localized:
+        local_ham_cform_twobody += _cform_twomode_kinetic(pes, n_states)
+    comm.Barrier()
+
+    f = h5py.File("cform_H2data" + f"_{rank}" + ".hdf5", "w")
+    f.create_dataset("H2", data=local_ham_cform_twobody)
+    f.close()
+    comm.Barrier()
+
+    ham_cform_twobody = None
+    if rank == 0:
+        ham_cform_twobody = _load_cform_twomode(size, len(pes.freqs), n_states)
+        process = subprocess.Popen("rm " + "cform_H2data*", stdout=subprocess.PIPE, shell=True)
+        _, _ = process.communicate()
+
+    comm.Barrier()
+    ham_cform_twobody = comm.bcast(ham_cform_twobody, root=0)
+
+    if cubic:
+        local_ham_cform_threebody = _cform_threemode(pes, n_states)
+
+        f = h5py.File("cform_H3data" + f"_{rank}" + ".hdf5", "w")
+        f.create_dataset("H3", data=local_ham_cform_threebody)
+        f.close()
+        comm.Barrier()
+
+        ham_cform_threebody = None
+        if rank == 0:
+            ham_cform_threebody = _load_cform_threemode(size, len(pes.freqs), n_states)
+            process = subprocess.Popen("rm " + "cform_H3data*", stdout=subprocess.PIPE, shell=True)
+            _, _ = process.communicate()
+
+        comm.Barrier()
+        ham_cform_threebody = comm.bcast(ham_cform_threebody, root=0)
+
+        H_arr = [ham_cform_onebody, ham_cform_twobody, ham_cform_threebody]
+    else:
+        H_arr = [ham_cform_onebody, ham_cform_twobody]
+
+    return H_arr
+
+
+def christiansen_integrals_dipole(pes, n_states=16):
+    r"""Compute Christiansen vibrational dipole integrals.
+
+    Args:
+        pes(VibrationalPES): object containing the vibrational potential energy surface data
+        n_states(int): maximum number of bosonic states per mode
+
+    Returns:
+        TensorLike[float]: the integrals for the Christiansen dipole operator
+    """
+
+    local_dipole_cform_onebody = _cform_onemode_dipole(pes, n_states)
+    comm.Barrier()
+
+    f = h5py.File("cform_D1data" + f"_{rank}" + ".hdf5", "w")
+    f.create_dataset("D1", data=local_dipole_cform_onebody)
+    f.close()
+    comm.Barrier()
+
+    dipole_cform_onebody = None
+    if rank == 0:
+        dipole_cform_onebody = _load_cform_onemode_dipole(size, len(pes.freqs), n_states)
+        process = subprocess.Popen("rm " + "cform_D1data*", stdout=subprocess.PIPE, shell=True)
+        _, _ = process.communicate()
+
+    comm.Barrier()
+    dipole_cform_onebody = comm.bcast(dipole_cform_onebody, root=0)
+
+    if pes.localized is True or pes.dipole_level > 1:
+        local_dipole_cform_twobody = _cform_twomode_dipole(pes, n_states)
+        comm.Barrier()
+
+        f = h5py.File("cform_D2data" + f"_{rank}" + ".hdf5", "w")
+        f.create_dataset("D2", data=local_dipole_cform_twobody)
+        f.close()
+        comm.Barrier()
+
+        dipole_cform_twobody = None
+        if rank == 0:
+            dipole_cform_twobody = _load_cform_twomode_dipole(size, len(pes.freqs), n_states)
+            process = subprocess.Popen("rm " + "cform_D2data*", stdout=subprocess.PIPE, shell=True)
+            _, _ = process.communicate()
+        comm.Barrier()
+        dipole_cform_twobody = comm.bcast(dipole_cform_twobody, root=0)
+
+    if pes.localized is True or pes.dipole_level > 2:
+        local_dipole_cform_threebody = _cform_threemode_dipole(pes, n_states)
+        comm.Barrier()
+
+        f = h5py.File("cform_D3data" + f"_{rank}" + ".hdf5", "w")
+        f.create_dataset("D3", data=local_dipole_cform_threebody)
+        f.close()
+
+        dipole_cform_threebody = None
+        if rank == 0:
+            dipole_cform_threebody = _load_cform_threemode_dipole(size, len(pes.freqs), n_states)
+            process = subprocess.Popen("rm " + "cform_D3data*", stdout=subprocess.PIPE, shell=True)
+            _, _ = process.communicate()
+        comm.Barrier()
+
+        dipole_cform_threebody = comm.bcast(dipole_cform_threebody, root=0)
+
+        D_arr = [dipole_cform_onebody, dipole_cform_twobody, dipole_cform_threebody]
+    else:
+        D_arr = [dipole_cform_onebody, dipole_cform_twobody]
+
+    return D_arr