| Literature DB >> 25830374 |
Aurora Pribram-Jones1, David A Gross, Kieron Burke.
Abstract
This article is a rough, quirky overview of both the history and present state of the art of density functional theory. The field is so huge that no attempt to be comprehensive is made. We focus on the underlying exact theory, the origin of approximations, and the tension between empirical and nonempirical approaches. Many ideas are illustrated on the exchange energy and hole. Features unique to this article include how approximations can be systematically derived in a nonempirical fashion and a survey of warm dense matter.Keywords: approximations; density functional theory; electronic structure; nonempiricism; semiclassics; warm dense matter
Mesh:
Year: 2015 PMID: 25830374 DOI: 10.1146/annurev-physchem-040214-121420
Source DB: PubMed Journal: Annu Rev Phys Chem ISSN: 0066-426X Impact factor: 12.703