Home › Forums › density functional theory › Hartree-Fock versus DFT › Choice of method This topic has 0 replies, 1 voice, and was last updated 1 year, 2 months ago by ruslana.kolesnichenko. Viewing 1 post (of 1 total) Author Posts October 14, 2023 at 11:36 pm #9512 ruslana.kolesnichenkoParticipant I think that for a molecule this large, correlation energy would play an important role, hence it would be better to use DFT. Author Posts Viewing 1 post (of 1 total) You must be logged in to reply to this topic. Log In Username: Password: Keep me signed in Log In
.
.