This is an unsuitable question, you ask what is the difference between "from the beginning" and "density functional theory"
probably one can speculate whether you might mean " What is the difference between "Hartre Fock", "Hohenberg Kohn", and "Kohn Sham" theoretical approaches to the elecstronic structure of atoms, molecules, or solids?" In that case, a good textbook or the original works might help you the latter rather better than second hand multiple genealogy references ==> do your study ab initio ! Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Physics Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: Wien [[email protected]] im Auftrag von ben amara imen [[email protected]] Gesendet: Mittwoch, 6. Juli 2022 15:18 An: [email protected]; [email protected] Betreff: [Wien] Ab inition and DFT Dears users Can someone please explain the difference between ab initio calculation and DFT. As I know , ab initio calculation is based on wave function without any empirical parameters . DFT is based on density of charge but it uses the empirical parameters (within Exchange-correlation potentiel PBE , GGA..). Is it correct ?. If it is correct , why some papers consider DFT as ab initio calculation. Thanks Best regards _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
