Which method Home › Forums › density functional theory › Hartree-Fock versus DFT › Which method This topic has 0 replies, 1 voice, and was last updated 6 days, 7 hours ago by Plume. Viewing 1 post (of 1 total) Author Posts October 9, 2026 at 9:42 am #15284 PlumeParticipant The molecule here is very big. As DFT is more computationnaly efficient, I would go for this option. However as the correlation might have a big effet, the result could be quite far from the exact solution. 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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