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