Home › Forums › density functional theory › Hartree-Fock versus DFT › DFT This topic has 0 replies, 1 voice, and was last updated 1 week, 1 day ago by DFT_user. Viewing 1 post (of 1 total) Author Posts September 5, 2025 at 2:29 am #12850 DFT_userParticipant As is a large molecule, the computational cost will be large. HF is not adequate for that. Besides, correlation is not included in HF, which surely will be relevant for a molecule with many atoms. 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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