IUPAC > Gold Book > alphabetical index > C > correlation energy


correlation energy

The difference between the Hartree–Fock energy calculated for a system and the exact non-relativistic energy of that system. The correlation energy arises from the approximate representation of the electron-electron repulsions in the Hartree–Fock method.
PAC, 1996, 68, 2223 (Glossary of terms used in photochemistry (IUPAC Recommendations 1996)) on page 2234
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.C01349.
Original PDF version: http://www.iupac.org/goldbook/C01349.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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