qrunch.chemistry.molecular_orbital_calculators.electron_correlation

Module containing MP2 and CCSD molecular orbital solvers.

Modules

coupled_cluster

Restricted and unrestricted calculators for coupled cluster (CCSD) natural orbitals.

moller_plesset_perturbation_theory

Restricted and unrestricted calculators for Møller-Plesset perturbation theory.

natural_orbital_results

Result containers for natural orbital calculations (shared by MP2, CCSD, etc.).