Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs. DFT This topic has 0 replies, 1 voice, and was last updated 2 days, 23 hours ago by jmayer1. Viewing 1 post (of 1 total) Author Posts June 20, 2025 at 6:38 pm #12588 jmayer1Participant I believe for this system, due to its large size and complicated geometry, DFT would be ideal as post-HF methods may be too computationally expensive to get results in a reasonable amount of time. 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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