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 @C01349@ 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 (https://doi.org/10.1351/pac200779030293)