Home › Forums › density functional theory › Hartree-Fock versus DFT › DFT vs HF This topic has 0 replies, 1 voice, and was last updated 4 days, 4 hours ago by Tomas Verbist. Viewing 1 post (of 1 total) Author Posts October 8, 2025 at 9:25 pm #13507 Tomas VerbistParticipant Because this is a very large molecule, I think you should use DFT, because the hartree Fock method will be very 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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