Home › Forums › density functional theory › Hartree-Fock versus DFT › DFT This topic has 0 replies, 1 voice, and was last updated 2 months ago by Dante. Viewing 1 post (of 1 total) Author Posts October 11, 2024 at 4:12 pm #11595 DanteParticipant Density Functional Theory is generally a better choice than HF due to its superior treatment of electron correlation, greater accuracy, and more favorable computational efficiency, making it more practical for studying complex molecular 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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