Preferred Label : multiconfiguration SCF method;
IUPAC acronym : CID; CIS; CISD; MCSCF;
IUPAC definition : 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.;
Scope 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.;
Origin ID : MT07075;
Automatic exact mappings (from CISMeF team)
- See also
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.
