Density-functional approximation for the correlation energy of the inhomogeneous electron gas
Тип публикации: Journal Article
Дата публикации: 1986-06-15
scimago Q1
wos Q2
БС1
SJR: 1.345
CiteScore: 6.3
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
PubMed ID:
9938299
Краткое описание
Langreth and Mehl (LM) and co-workers have developed a useful spin-density functional for the correlation energy of an electronic system. Here the LM functional is improved in two ways: (1) The natural separation between exchange and correlation is made, so that the density-gradient expansion of each is recovered in the slowly varying limit. (2) Uniform-gas and inhomogeneity effects beyond the randomphase approximation are built in. Numerical results for atoms, positive ions, and surfaces are close to the exact correlation energies, with major improvements over the original LM approximation for the ions and surfaces.
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PERDEW J. P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas // Physical Review B. 1986. Vol. 33. No. 12. pp. 8822-8824.
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PERDEW J. P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas // Physical Review B. 1986. Vol. 33. No. 12. pp. 8822-8824.
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RIS
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TY - JOUR
DO - 10.1103/PhysRevB.33.8822
UR - https://doi.org/10.1103/PhysRevB.33.8822
TI - Density-functional approximation for the correlation energy of the inhomogeneous electron gas
T2 - Physical Review B
AU - PERDEW, JOHN P.
PY - 1986
DA - 1986/06/15
PB - American Physical Society (APS)
SP - 8822-8824
IS - 12
VL - 33
PMID - 9938299
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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BibTex (до 50 авторов)
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@article{1986_PERDEW,
author = {JOHN P. PERDEW},
title = {Density-functional approximation for the correlation energy of the inhomogeneous electron gas},
journal = {Physical Review B},
year = {1986},
volume = {33},
publisher = {American Physical Society (APS)},
month = {jun},
url = {https://doi.org/10.1103/PhysRevB.33.8822},
number = {12},
pages = {8822--8824},
doi = {10.1103/PhysRevB.33.8822}
}
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MLA
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PERDEW, JOHN P.. “Density-functional approximation for the correlation energy of the inhomogeneous electron gas.” Physical Review B, vol. 33, no. 12, Jun. 1986, pp. 8822-8824. https://doi.org/10.1103/PhysRevB.33.8822.