Home › Forums › density functional theory › Hartree-Fock versus DFT › Hartree-Fock versus DFT This topic has 0 replies, 1 voice, and was last updated 1 year, 7 months ago by phangels. Viewing 1 post (of 1 total) Author Posts May 10, 2023 at 6:46 am #8521 phangelsParticipant I would use DFT because the number of atoms seems to be very large. 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