Talk:Multi-configurational self-consistent field

Physics Mid‑importance

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Chemistry Mid‑importance

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MCSCF should not be called a Post-Hartree-Fock method, it rather is an alternative to RHF. If at all, MCSCF needs RHF only to get a starting guess for the orbitals. But even that is not required. MOLPRO's MCSCF, for example, can happily converge wave functions even if the initial guesses are from atomic density guesses for the 1-RDM, completely without a Hartree-Fock calculation preceeding it.129.69.55.52

I agree. Is there anyway now where it is called a Post-Hartree-Fock method? I have just done some minor changes but also added that MCSCF can be done directly in determinants as well as with CSFs. GAMESS(US) offers both methods. --Bduke 23:45, 14 July 2007 (UTC)Reply

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