Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 2 years ago by Luka De Bolle. Viewing 1 post (of 1 total) Author Posts October 8, 2022 at 11:30 am #6991 Luka De BolleParticipant In this case (very large molecule), I would use DFT as HF would be too computationally expensive. 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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