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• 20:15, 20 October 2022 James talk contribs created page ORCA (Created page with "In particular implemented methods are: '''Semi-empirical:''' INDO/S, MNDO, AM1, PM3, NDDO/1; '''Hartee Fock theory''' (RHF, UHF, ROHF and CASSCF) all in direct, semidirect, or conventional mode, different RI approximations; '''DFT''' including a reasonably large number of exchange and correlation functionals including hybrid DFT and the most recent double hybrid functionals; High level single reference correlation models: CCSD(T), QCISD(T), CEPA, CPF (with and without R...")