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 Eduardo. Viewing 1 post (of 1 total) Author Posts April 16, 2025 at 12:37 pm #12442 EduardoParticipant To predict the properties of a very large molecule, I would use DFT (Density Functional Theory) because it is more computationally efficient and provides accurate results for large systems compared to HF (Hartree-Fock). 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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