Home › Forums › density functional theory › Hartree-Fock versus DFT › molecule This topic has 0 replies, 1 voice, and was last updated 1 year, 2 months ago by Joachim Scheerlinck. Viewing 1 post (of 1 total) Author Posts October 13, 2023 at 9:05 am #9474 Joachim ScheerlinckParticipant DFT, as correlation is quite important with such a complex molecule. Althoug I’m not sure, post HF methods might also do trick given there are powerfull computers. It depends on the purpose of predicting the properties. 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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