Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Publication type: Journal Article
Publication date: 1988-01-15
scimago Q1
wos Q2
SJR: 1.303
CiteScore: 6.2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
PubMed ID:
9944570
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.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1000
2000
3000
4000
5000
6000
7000
|
|
|
Journal of Physical Chemistry A
6033 publications, 6.57%
|
|
|
Journal of Chemical Physics
3499 publications, 3.81%
|
|
|
Journal of Molecular Structure
3448 publications, 3.76%
|
|
|
Physical Chemistry Chemical Physics
3122 publications, 3.4%
|
|
|
Inorganic Chemistry
2942 publications, 3.2%
|
|
|
Journal of the American Chemical Society
2385 publications, 2.6%
|
|
|
Chemical Physics Letters
2177 publications, 2.37%
|
|
|
Chemistry - A European Journal
2157 publications, 2.35%
|
|
|
Journal of Physical Chemistry B
2000 publications, 2.18%
|
|
|
Dalton Transactions
1748 publications, 1.9%
|
|
|
Journal of Molecular Structure THEOCHEM
1691 publications, 1.84%
|
|
|
Organometallics
1667 publications, 1.82%
|
|
|
Journal of Physical Chemistry C
1667 publications, 1.82%
|
|
|
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
1594 publications, 1.74%
|
|
|
Journal of Organic Chemistry
1576 publications, 1.72%
|
|
|
Journal of Chemical Theory and Computation
1452 publications, 1.58%
|
|
|
International Journal of Quantum Chemistry
1244 publications, 1.35%
|
|
|
Computational and Theoretical Chemistry
1138 publications, 1.24%
|
|
|
RSC Advances
1097 publications, 1.19%
|
|
|
Journal of Computational Chemistry
1053 publications, 1.15%
|
|
|
Journal of Molecular Modeling
1040 publications, 1.13%
|
|
|
New Journal of Chemistry
840 publications, 0.91%
|
|
|
Polyhedron
800 publications, 0.87%
|
|
|
European Journal of Inorganic Chemistry
796 publications, 0.87%
|
|
|
Chemical Physics
745 publications, 0.81%
|
|
|
Inorganica Chimica Acta
732 publications, 0.8%
|
|
|
Molecules
716 publications, 0.78%
|
|
|
Journal of Molecular Liquids
714 publications, 0.78%
|
|
|
Journal of Organometallic Chemistry
711 publications, 0.77%
|
|
|
1000
2000
3000
4000
5000
6000
7000
|
Publishers
|
5000
10000
15000
20000
25000
|
|
|
Elsevier
24059 publications, 26.2%
|
|
|
American Chemical Society (ACS)
24026 publications, 26.17%
|
|
|
Wiley
12264 publications, 13.36%
|
|
|
Royal Society of Chemistry (RSC)
9651 publications, 10.51%
|
|
|
Springer Nature
6543 publications, 7.13%
|
|
|
AIP Publishing
3922 publications, 4.27%
|
|
|
Taylor & Francis
2065 publications, 2.25%
|
|
|
MDPI
1810 publications, 1.97%
|
|
|
Pleiades Publishing
1062 publications, 1.16%
|
|
|
American Physical Society (APS)
1007 publications, 1.1%
|
|
|
IOP Publishing
632 publications, 0.69%
|
|
|
World Scientific
402 publications, 0.44%
|
|
|
Oxford University Press
306 publications, 0.33%
|
|
|
Walter de Gruyter
225 publications, 0.25%
|
|
|
Canadian Science Publishing
214 publications, 0.23%
|
|
|
International Union of Crystallography (IUCr)
167 publications, 0.18%
|
|
|
SAGE
164 publications, 0.18%
|
|
|
American Association for the Advancement of Science (AAAS)
160 publications, 0.17%
|
|
|
Frontiers Media S.A.
153 publications, 0.17%
|
|
|
Hindawi Limited
135 publications, 0.15%
|
|
|
Proceedings of the National Academy of Sciences (PNAS)
121 publications, 0.13%
|
|
|
Institute of Electrical and Electronics Engineers (IEEE)
113 publications, 0.12%
|
|
|
American Astronomical Society
106 publications, 0.12%
|
|
|
King Saud University
104 publications, 0.11%
|
|
|
Beilstein-Institut
94 publications, 0.1%
|
|
|
The Electrochemical Society
88 publications, 0.1%
|
|
|
Cold Spring Harbor Laboratory
81 publications, 0.09%
|
|
|
CSIRO Publishing
78 publications, 0.08%
|
|
|
EDP Sciences
78 publications, 0.08%
|
|
|
5000
10000
15000
20000
25000
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
92k
Total citations:
91823
Citations from 2025:
4648
(5.06%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
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.
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 -
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}
}
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.