Home › Forums › density functional theory › Hartree-Fock versus DFT › Choice of method This topic has 0 replies, 1 voice, and was last updated 2 weeks ago by robert.degille. Viewing 1 post (of 1 total) Author Posts February 6, 2025 at 5:33 am #12363 robert.degilleParticipant The molecule is sufficiently complex that post-hartree fock methods would be too computationally intensive for the acquisition of a realistic solution. DFT is a better choice. 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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