vibeqc.run_ccsd¶

vibeqc.run_ccsd(molecule, basis, rhf_result, options=None)[source]¶

Run closed-shell DF-CCSD (and optionally CCSD(T)).

Parameters:

molecule (Molecule)
basis (BasisSet)
rhf_result (RHFResult) – Converged RHF reference.
options (CCSDOptions, optional) – CCSD options. If not provided, defaults are used with density_fit=True and compute_triples=True.

Return type:

CCSDResult