Approach to density-functional ionization energy

Levy M, Görling A (1996)


Publication Type: Journal article, Original article

Publication year: 1996

Journal

Original Authors: Levy M., Görling A.

Publisher: American Physical Society

Book Volume: 53

Pages Range: 969-972

Journal Issue: 3

URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0040825327&origin=inward

Abstract

For electronic systems, there are presently only two common ways to approximate the exact ionization energy, I, through density-functional theory, and the two results are often quite different. To improve accuracy, we use coordinate scaling to derive countless ways to approximate I, by observing that I is independent of the charge (coupling constant) on the electron at fixed ground-state density. To test approximate density functionals, a virial relation is deduced which connects the exact functional for N electrons with that for (N-1) electrons.

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How to cite

APA:

Levy, M., & Görling, A. (1996). Approach to density-functional ionization energy. Physical Review B, 53(3), 969-972.

MLA:

Levy, Mel, and Andreas Görling. "Approach to density-functional ionization energy." Physical Review B 53.3 (1996): 969-972.

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