HF vs DFT Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 5 days, 22 hours ago by Jacqueline abeasi. Viewing 1 post (of 1 total) Author Posts June 26, 2026 at 4:45 pm #14698 Jacqueline abeasiParticipant I would use DFT. This is because the molecule has a large number of electrons and DFT scales much more favorably to making it computationally feasible. 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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