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
APA
Chicago
ICMJE
MLA
NLM
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