Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 2 years, 2 months ago by Dietger Van den Eynden. Viewing 1 post (of 1 total) Author Posts October 6, 2022 at 7:34 pm #6961 Dietger Van den EyndenParticipant DFT seems like the preferred method, as the molecule is very big it will probably be extremely expensive for postHF to get closer to the real value 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
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