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.
Note:
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.
Source:
PAC, 2007, 79, 293
(Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006))
on page 372
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.
https://doi.org/10.1351/goldbook.
