Home › Forums › density functional theory › Hartree-Fock versus DFT › HT vs DFT This topic has 0 replies, 1 voice, and was last updated 2 years, 1 month ago by mbakhsh. Viewing 1 post (of 1 total) Author Posts November 3, 2022 at 9:48 am #7602 mbakhshParticipant I would use DFT. Post-Hartree Fock method would be computationally very expensive because of the complexity of the molecule. 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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