qrunch.chemistry.ground_state_problem.builders.hartree_fock_energy
Module designed to calculate the Hartree-Fock energy, provided molecular integrals.
Functions
Compute the Hartree-Fock energy for the ground state problem. |
- hartree_fock_electronic_energy(ground_state_problem: RestrictedGroundStateProblem | UnrestrictedGroundStateProblem) float
Compute the Hartree-Fock energy for the ground state problem.
- Parameters:
ground_state_problem (RestrictedGroundStateProblem | UnrestrictedGroundStateProblem) – The Ground state problem
- Return type:
float