Home › Forums › density functional theory › Hartree-Fock versus DFT › Molecular properties This topic has 0 replies, 1 voice, and was last updated 1 month, 3 weeks ago by twynter94. Viewing 1 post (of 1 total) Author Posts January 12, 2025 at 9:34 pm #12290 twynter94Participant Due to size of this molecule, I would simulate the properties using DFT instead of HF. DFT is more suitable for big systems. 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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