Improved Lieb-Oxford exchange-correlation inequality with a gradient correction

Mathieu Lewin, Elliott H. Lieb

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

We prove a Lieb-Oxford-type inequality on the indirect part of the Coulomb 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 a recent inequality of Benguria et al. [Int. J. Quantum Chem. 112, 1579 (2012)IJQCB20020-760810.1002/qua.23148], except that the correction term is purely local, which is more usual in density functional theory. In an appendix, we discuss the connection between the indirect energy and the classical Jellium energy for constant densities. We show that they differ by an explicit shift due to the long range of the Coulomb potential.

Original languageEnglish (US)
Article number022507
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume91
Issue number2
DOIs
StatePublished - Feb 11 2015

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

Fingerprint Dive into the research topics of 'Improved Lieb-Oxford exchange-correlation inequality with a gradient correction'. Together they form a unique fingerprint.

Cite this