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.