Density Functional Theory (DFT)
Although many DFT codes simply calculate spin-contamination using the Kohn-Sham orbitals as if they were Hartree-Fock orbitals, this is not necessarily correct.
Read more about this topic: Spin Contamination
Famous quotes containing the words functional and/or theory:
“Stay-at-home mothers, . . . their self-esteem constantly assaulted, . . . are ever more fervently concerned that their offspring turn out better so they wont have to stoop to say I told you so. Working mothers, . . . their self-esteem corroded by guilt, . . . are praying their kids turn out functional so they can stop being defensive and apologetic and instead assert See? I did do it all.”
—Melinda M. Marshall (20th century)
“The theory seems to be that so long as a man is a failure he is one of Gods chillun, but that as soon as he has any luck he owes it to the Devil.”
—H.L. (Henry Lewis)