SEMINARIO
Prof. Elliott Lieb
Princeton University (with Mathieu Lewin, C.N.R.S.)
Titolo: Indirect Coulomb Energy with Gradient Correction
Martedi' 16 Giugno 2015 ORE 14:30
Dipartimento di Matematica e Fisica Universita' degli Studi Roma Tre Aula F, primo piano, edificio Aule Largo San Leonardo Murialdo,1
Abstract We prove a Lieb-Oxford-type inequality on the indirect part of the Coulomb energy (also known as the exchange-correlation energy) of a general many-particle quantum state, with a lower constant than the original statement but involving an additional gradient correction. The result is similar to an inequality of Benguria, Bley and Loss, except that our correction term is purely local, which is more usual for density functional theory. No previous knowledge of the subject will be assumed; a short tutorial on the subject and its importance to quantum chemistry will be presented.