aromanro / HartreeFock

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
57Updated 7 months ago

Alternatives and similar repositories for HartreeFock:

Users that are interested in HartreeFock are comparing it to the libraries listed below