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Easily implementable nonlocal exchange-correlation energy functional

Publication ,  Journal Article
Langreth, DC; Mehl, MJ
Published in: Physical Review Letters
January 1, 1981

An exchange-correlation functional for nonuniform electronic systems is developed which provides an easily implementable correction to the local density approximation. It is applied to metallic surface energies, as well as to self-consistent atomic calculations which include the ground-state energies of a number of atoms, plus the removal energies for 1s, 2s, 3s, 4s, 2p, 3p, and 3d electrons. In all cases tried a substantial improvement was found. © 1981 The American Physical Society.

Duke Scholars

Published In

Physical Review Letters

DOI

ISSN

0031-9007

Publication Date

January 1, 1981

Volume

47

Issue

6

Start / End Page

446 / 450

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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MLA
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Langreth, D. C., & Mehl, M. J. (1981). Easily implementable nonlocal exchange-correlation energy functional. Physical Review Letters, 47(6), 446–450. https://doi.org/10.1103/PhysRevLett.47.446
Langreth, D. C., and M. J. Mehl. “Easily implementable nonlocal exchange-correlation energy functional.” Physical Review Letters 47, no. 6 (January 1, 1981): 446–50. https://doi.org/10.1103/PhysRevLett.47.446.
Langreth DC, Mehl MJ. Easily implementable nonlocal exchange-correlation energy functional. Physical Review Letters. 1981 Jan 1;47(6):446–50.
Langreth, D. C., and M. J. Mehl. “Easily implementable nonlocal exchange-correlation energy functional.” Physical Review Letters, vol. 47, no. 6, Jan. 1981, pp. 446–50. Scopus, doi:10.1103/PhysRevLett.47.446.
Langreth DC, Mehl MJ. Easily implementable nonlocal exchange-correlation energy functional. Physical Review Letters. 1981 Jan 1;47(6):446–450.

Published In

Physical Review Letters

DOI

ISSN

0031-9007

Publication Date

January 1, 1981

Volume

47

Issue

6

Start / End Page

446 / 450

Related Subject Headings

  • General Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences