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Quantum Density Functional Theory: a quantum algorithm to solve the Kohn-Sham self-consistent equations.

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QDFT

Quantum Density Functional Theory: a quantum algorithm to solve the Kohn-Sham self-consistent equations.

Installation

export QDFT_DIR=pwd

pip install -e .

execution

cd examples

python3 DFT_Hchain.py

python3 QDFT_Hchain.py

python3 QDFT_Hubbard.py

For Hubbard, one requires to clone and install [email protected]:bsenjean/SOFT.git

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