Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 2 years, 2 months ago by ilias.vandevenne. Viewing 1 post (of 1 total) Author Posts October 10, 2022 at 10:13 am #7073 ilias.vandevenneParticipant If computational resources are not limited HF is better. But because it is a big molecule DFT is much faster and gives a reasonable 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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