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multiconfiguration SCF method

Also contains definition of: MCSCF method

Configuration-interaction method in which simultaneous optimization of both the shapes of molecular orbitals and contributions from different electronic configurations is carried out by using the variational method.
The MCSCF method with a large enough set of configurations allows a better estimation of the non-dynamic correlation energy than the conventional CIS, CID, and CISD methods.
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 372
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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: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
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