Big molecule study Home › Forums › density functional theory › Hartree-Fock versus DFT › Big molecule study This topic has 0 replies, 1 voice, and was last updated 1 day, 4 hours ago by Rob2026. Viewing 1 post (of 1 total) Author Posts October 14, 2026 at 1:25 pm #15348 Rob2026Participant To study such big molecule with many atoms, I would definitely use DFT, as it can give a faster but approximate solution for big systems. Using post-HF methods would lead to computational limitation. 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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