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multicoat morphologymultident
multiconfiguration SCF (MC SCF) method
The configuration interaction method in which simultaneous optimisation of both the shapes of molecular orbitals and contributions from different electronic configurations is carried out by use of the variational method. The MC SCF method with a large enough set of configurations allows better estimation of the correlation energy as compared with the conventional CI method.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1953
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Cite as:
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: 2008-10-07; version: 2.0.2.
DOI of this term: doi:10.1351/goldbook.MT07075.
Original PDF version (may be out of date): http://www.iupac.org/goldbook/MT07075.pdf.
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