Home › Forums › density functional theory › Hartree-Fock versus DFT › Hartree-Fock versus DFT This topic has 0 replies, 1 voice, and was last updated 6 months, 3 weeks ago by Mylo. Viewing 1 post (of 1 total) Author Posts October 10, 2023 at 3:48 pm #9439 MyloParticipant Since we are considering a large and complex molecule I would use DFT as it would probably be too computationally demanding for Hartree-Fock methods. 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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