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v0.40.0 changelog - Labs #6766
v0.40.0 changelog - Labs #6766
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Co-authored-by: Jay Soni <[email protected]>
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Thanks Diego! Left some comments and suggestions
Co-authored-by: Isaac De Vlugt <[email protected]>
…AI/pennylane into v0.40.0-changelog-labs
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Looks great, minor suggestions :)
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## v0.40.0-changelog #6766 +/- ##
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Coverage ? 99.60%
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doc/releases/changelog-0.40.0.md
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<h4>Vibrational Hamiltonians</h4> | ||
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* New functionality in labs helps with the construction of vibrational Hamiltonians. | ||
* Generate potential energy surfaces (PES) with `vibrational_pes`. | ||
[(#6616)](https://github.com/PennyLaneAI/pennylane/pull/6616) | ||
[(#6676)](https://github.com/PennyLaneAI/pennylane/pull/6676) | ||
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```pycon | ||
>>> symbols = ['H', 'F'] | ||
>>> geometry = np.array([[0.0, 0.0, 0.0], [0.0, 0.0, 1.0]]) | ||
>>> mol = qml.qchem.Molecule(symbols, geometry) | ||
>>> pes = vibrational_pes(mol) | ||
``` | ||
* Use the `christiansen_hamiltonian` function and potential energy surfaces | ||
to generate Hamiltonians in the Christiansen form. | ||
[(#6560)](https://github.com/PennyLaneAI/pennylane/pull/6560) |
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