Home › Forums › density functional theory › Hartree-Fock versus DFT › Method This topic has 0 replies, 1 voice, and was last updated 6 days, 1 hour ago by Simon Van Looveren. Viewing 1 post (of 1 total) Author Posts October 7, 2025 at 11:51 am #13446 Simon Van LooverenParticipant For a molecule as big as this I think you should use DFT, as 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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