Electronic Density Functional Theory

pp 19-29

Digging into the Exchange-Correlation Energy: The Exchange-Correlation Hole

  • Kieron BurkeAffiliated withDepartment of Chemistry, Rutgers University-Camden

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In this chapter, I summarize much of what is known about the exchange-correlation hole in density functional theory. The aim of this summary is to introduce the non-expert to key concepts in electronic density functional theory. For a much broader introduction, see the book by Parr and Yang [1]. For more detail, see the book by Dreizler and Gross [2], and other chapters in the current volume. Most of the references in this chapter are either classic papers in which a fundamental result has been established (and so are well worth reading), or are references to illustrative figures in my own work. I conclude with some simple exercises. Solutions are provided to the odd-numbered problems, while true experts will make short work of the even-numbered ones.