multiconfiguration SCF 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 @[email protected] 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 [Terms] [Paper]