Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 5 hours, 40 minutes ago by timothe.rhein. Viewing 1 post (of 1 total) Author Posts October 13, 2025 at 1:57 pm #13602 timothe.rheinParticipant For this molecule, I would use DFT. This is because there are a large amount of electrons, and so approximating the electron density seems to be the most computationally feasible and accurate method. 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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