SEARCH Articles Figures Tables Activation space Active space CASSCF CASSCF (Complete Active Space Self Complete active self-consistent field Complete active self-consistent field calculation Complete active space Complete active space calculation Complete active space self-consistent field Complete active space self-consistent field CASSCF) Complete active space self-consistent field CASSCF/CASPT2 calculations Field calculations Self-Consistent Field Self-activation Self-consistent calculations Self-consistent field calculations Self-consisting fields