Post-HF vs DFT Home › Forums › density functional theory › Hartree-Fock versus DFT › Post-HF vs DFT This topic has 0 replies, 1 voice, and was last updated 1 year ago by ellen. Viewing 1 post (of 1 total) Author Posts October 11, 2025 at 2:03 pm #13558 ellenParticipant The molecule seems to be way too big to use (post)-Hartree-Fock methods as it would be too computationally expensive, so I would use DFT. 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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