Home › Forums › density functional theory › Hartree-Fock versus DFT › HF vs DFT This topic has 0 replies, 1 voice, and was last updated 2 years, 2 months ago by Jonas De Rijck. Viewing 1 post (of 1 total) Author Posts October 11, 2022 at 6:41 pm #7129 Jonas De RijckParticipant I would use the DFT method for this one molecule (which is a very large system), because with the HF method we would come very close to the computational limitations of our computer. 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
.
