| Literature DB >> 25554126 |
David V Feinblum1, John Kenison2, Kieron Burke1.
Abstract
Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke's atom, finding them usually less strict than the Lieb-Oxford bound. However, we also show that, if a generalized gradient approximation is to guarantee satisfaction of the new bounds for all densities, new restrictions on the exchange-correlation enhancement factor are implied.Entities:
Year: 2014 PMID: 25554126 DOI: 10.1063/1.4904448
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488