SEARCH Articles Figures Tables Activation space Active space Complete Active Space Self-Consistent Field CASSCF) method Complete active self-consistent field Complete active space Complete active space self consistent field method Complete active space self-consistent field CASSCF) Complete active space self-consistent field CASSCF) approach Complete active space self-consistent field CASSCF) calculations Complete active space self-consistent field CASSCF) technique Complete active space self-consistent field CASSCF) technique, non-adiabatic Complete active space self-consistent field CASSCF/CASPT2 calculations Complete active space self-consistent field calculations, with Complete active space self-consistent field geometries Complete active space self-consistent field second-order Complete active space self-consistent field spin contamination Complete active space self-consistent field systems Complete active space self-consistent field valence bond theory Complete active space self-consistent field wave function Complete active space self-consistent field wavefunctions Complete active space self-consistent fields coupled-cluster theory Complete active space self-consistent fields electronic structure Complete active space self-consistent-field CASSCF) wave function Complete-active space self-consistent field model Complete-active-space self-consistent field CASSCF) theory Complete-active-space self-consistent field wavefunction Direct molecular dynamics, complete active space self-consistent field Molecular orbital theory complete active space self-consistent field Quasi-complete active space self-consistent fields Self-Consistent Field Self-activation Self-consistent field method complete active space, combination with Self-consisting fields Valence bond structure complete active space self-consistent field Valence complete active space self-consistent field Valence complete active space self-consistent field methods