This article is within the scope of WikiProject Physics, a collaborative effort to improve the coverage of Physics on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.PhysicsWikipedia:WikiProject PhysicsTemplate:WikiProject Physicsphysics articles
This article is within the scope of WikiProject Chemistry, a collaborative effort to improve the coverage of chemistry on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.ChemistryWikipedia:WikiProject ChemistryTemplate:WikiProject ChemistryChemistry articles
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
.jpg){kind=small}
