Home › Forums › density functional theory › Hartree-Fock versus DFT › Molecule This topic has 0 replies, 1 voice, and was last updated 1 year, 2 months ago by simvdrsn. Viewing 1 post (of 1 total) Author Posts October 11, 2023 at 10:15 am #9449 simvdrsnParticipant I would use DFT, because it is a complex molecule and HF works best for small molecules while DFT works well for both. 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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