On the Evaluation of the Correlation Energy and the Total non-Relativistic Born-Oppenheimer Energy for the Water Molecule Full article
Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Output data | Year: 1987, Volume: 134, Number: 5, Pages: 423-427 Pages count : 5 DOI: 10.1016/0009-2614(87)87166-X | ||
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Abstract:
The results of density-functional correlation energy Ec calculations for the first- and second-row atoms and hydrides are presented. For the water molecule various theoretical and empirical estimates of Ec and of the total non-relativistic energy are compared.
Cite:
Gritsenko O.V.
, Danilova S.V.
, Zhanpeisov N.U.
, Malkin V.G.
, Zhidomirov G.M.
On the Evaluation of the Correlation Energy and the Total non-Relativistic Born-Oppenheimer Energy for the Water Molecule
Chemical Physics Letters. 1987. V.134. N5. P.423-427. DOI: 10.1016/0009-2614(87)87166-X WOS Scopus РИНЦ
On the Evaluation of the Correlation Energy and the Total non-Relativistic Born-Oppenheimer Energy for the Water Molecule
Chemical Physics Letters. 1987. V.134. N5. P.423-427. DOI: 10.1016/0009-2614(87)87166-X WOS Scopus РИНЦ
Dates:
Submitted: | Dec 8, 1986 |
Published print: | Mar 13, 1987 |
Published online: | Nov 2, 2001 |
Identifiers:
Web of science | WOS:A1987G806800007 |
Scopus | 2-s2.0-45949131353 |
Elibrary | 30717679 |
Chemical Abstracts | 1987:220055 |
Chemical Abstracts (print) | 106:220055 |
OpenAlex | W1978663435 |