SEARCH Articles Figures Tables Activation space Active space CASSCF Complete Active Space Self-Consistent Field CASSCF) method Complete active space 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 CASSCF) wave function Complete-active-space self-consistent field CASSCF) theory Self-activation