DFT: A Theory Full of Holes?

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.

• Publication year

  2014

• Venue

  Annual review of physical chemistry (Print)

• Publication date

  2014-08-20

• Fields of study

  Medicine, Physics, Chemistry

• Identifiers
  DOI 10.1146/annurev-physchem-040214-121420arXiv 1408.4826PMID 25830374
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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