Talk:Post-Hartree-Fock

From Wikipedia, the free encyclopedia

[edit] BO approx. and post-HF methods

I have reverted the edit that stated in the edit comment that post-Hartree-Fock methods do not assume the Born-Oppenheimer approximation. First, the statement about the Born-Oppenheimer approximation refers to the SCF process. Second, there is some confusion here in this article and the main computational chemistry page between defining "post-Hartree-Fock" as "anything better than Hartree-Fock" and, as it should be defined, as methods that start from a single determinant Hartree-Fock wave function as the reference. I will try to fix this up soon. The MCSCF method and others should not be included under post-HF. They should have their own sections. Standard MP2, CCSD, CISD methods are massively popular and are real post-HF methods. They start from the HF wave function. Anything that starts from the HF must assume the Born-Oppenheimer approximation because the HF method does. Nevertheless the anon editor was correct in that the introduction does need cleaning up. I will do it when I have a bit more time. --Bduke 22:43, 21 April 2006 (UTC)

I agree. Karol 09:58, 22 April 2006 (UTC)