Home › Forums › density functional theory › Hartree-Fock versus DFT › DFT vs HF This topic has 0 replies, 1 voice, and was last updated 2 weeks ago by SeanM. Viewing 1 post (of 1 total) Author Posts October 9, 2024 at 4:45 pm #11577 SeanMParticipant For this molecule it is logical to use DFT as approaching the exact solution using post-HF methods would be computationally very expensive for such a large molecule. 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
.
