Home › Forums › density functional theory › Hartree-Fock versus DFT › Method This topic has 0 replies, 1 voice, and was last updated 6 months, 3 weeks ago by ThibautDhomme. Viewing 1 post (of 1 total) Author Posts October 7, 2023 at 3:15 pm #9365 ThibautDhommeParticipant DFT seems the better option since the molecule is very large. HF would take too long to get a good result. 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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