qrunch.chemistry.molecular_orbital_calculators.electron_correlation
Module containing MP2 and CCSD molecular orbital solvers.
Modules
Restricted and unrestricted calculators for coupled cluster (CCSD) natural orbitals. |
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Restricted and unrestricted calculators for Møller-Plesset perturbation theory. |
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Result containers for natural orbital calculations (shared by MP2, CCSD, etc.). |