volume 37 issue 2 pages 785-789

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Publication typeJournal Article
Publication date1988-01-15
scimago Q1
wos Q2
SJR1.303
CiteScore6.2
Impact factor3.7
ISSN24699950, 24699969, 10980121, 1550235X
Abstract
A correlation-energy formula due to Colle and Salvetti [Theor. Chim. Acta 37, 329 (1975)], in which the correlation energy density is expressed in terms of the electron density and a Laplacian of the second-order Hartree-Fock density matrix, is restated as a formula involving the density and local kinetic-energy density. On insertion of gradient expansions for the local kinetic-energy density, density-functional formulas for the correlation energy and correlation potential are then obtained. Through numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, it is demonstrated that these formulas, like the original Colle-Salvetti formulas, give correlation energies within a few percent.
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GOST |
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GOST Copy
Lee C., Yang W., Parr R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density // Physical Review B. 1988. Vol. 37. No. 2. pp. 785-789.
GOST all authors (up to 50) Copy
Lee C., Yang W., Parr R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density // Physical Review B. 1988. Vol. 37. No. 2. pp. 785-789.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1103/PhysRevB.37.785
UR - https://doi.org/10.1103/PhysRevB.37.785
TI - Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
T2 - Physical Review B
AU - Lee, Chengteh
AU - Yang, Weitao
AU - Parr, Robert G.
PY - 1988
DA - 1988/01/15
PB - American Physical Society (APS)
SP - 785-789
IS - 2
VL - 37
PMID - 9944570
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{1988_Lee,
author = {Chengteh Lee and Weitao Yang and Robert G. Parr},
title = {Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density},
journal = {Physical Review B},
year = {1988},
volume = {37},
publisher = {American Physical Society (APS)},
month = {jan},
url = {https://doi.org/10.1103/PhysRevB.37.785},
number = {2},
pages = {785--789},
doi = {10.1103/PhysRevB.37.785}
}
MLA
Cite this
MLA Copy
Lee, Chengteh, et al. “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.” Physical Review B, vol. 37, no. 2, Jan. 1988, pp. 785-789. https://doi.org/10.1103/PhysRevB.37.785.