Home › Forums › density functional theory › Hartree-Fock versus DFT › DFT vs HF This topic has 0 replies, 1 voice, and was last updated 2 months, 1 week ago by Maarten Carrette. Viewing 1 post (of 1 total) Author Posts October 8, 2024 at 12:20 pm #11558 Maarten CarretteParticipant I would argue to use DFT because of the size and complexity of the molecule. Because it is a big system, the noise resulting from DFT will be acceptable. The computational time using the HF would be too long, to even consider using this method. 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