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 Ine Vanysacker. Viewing 1 post (of 1 total) Author Posts October 12, 2022 at 4:04 pm #7153 Ine VanysackerParticipant This is a very large molecule, so I would use DFT, because HF is computationally very difficult. 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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