A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) …
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Supporting Docs
- (M, 8.14 Kb)Amrit_H-H_gnd_state_HF.m