Home › Forums › density functional theory › Hartree-Fock versus DFT › Method This topic has 0 replies, 1 voice, and was last updated 1 year, 2 months ago by Diego De Gusem. Viewing 1 post (of 1 total) Author Posts October 9, 2023 at 2:49 pm #9415 Diego De GusemParticipant I would use DFT. It is a big molecule so it will take ages to calculate the energy with HF. 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
.
.