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theochem / ModelHamiltonian

Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.

quantum-chemistry ising-model heisenberg-model hubbard-model huckel-method model-hamiltonians pariser-parr-pople-model electronegativity-equalization fcidump richardson-gaudin-model tju-model extended-hubbard lattice-model chatgpt

Updated Oct 28, 2024
Python

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