SEARCH Articles Figures Tables Active Space Specification Active space Active space Active space orbitals Active space selection Active space, transition metal compounds Active-external space correlations Active-space calculations Active-space reference Active-space single-reference Activity space CASSCF (Complete Active Space Self CASSCF.,Complete active space SCF Complementary active space Complete Active Space Self-Consistent Field CASSCF) method Complete active space Complete active space CASSCF Complete active space SCF method Complete active space calculation Complete active space method Complete active space perturbation Complete active space perturbation theory Complete active space perturbation theory CASPT2) calculations Complete active space second-order Complete active space second-order field Complete active space self consistent field method Complete active space self-consistent Complete active space self-consistent field 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 held Complete active space self-consistent-field CASSCF) wave function Complete active space state interaction Complete active space valence bond application Complete active space valence bonds Complete active space valence bonds CASVB) Complete active space wave functions Complete-active space self-consistent field model Complete-active-space configuration-interaction Complete-active-space self-consistent field CASSCF) theory Complete-active-space self-consistent field wavefunction Configuration interaction restricted active space Coupled cluster method active space Direct molecular dynamics, complete active space self-consistent field Electronic structure computations complete active-space Ions, active space Molecular orbital theory complete active space self-consistent field ORMAS active spaces Occupation restricted multiple active spaces Occupation restricted multiple active spaces ORMAS) Optical activity space-groups Orbital active space Perturbation theory complete active space second-order Quasi-complete active space Quasi-complete active space self-consistent Quasi-complete active space self-consistent fields Restricted Active Space Self-Consistent Field Restricted Active Space Self-Consistent Field RASSCF) method Restricted active space Restricted active space RASSCF Restricted active space SCF Restricted active space configuration Restricted active space configuration interaction approach Restricted active space self-consistent Restricted active space self-consistent field method Restricted active space self-consistent field, RASSCF Restrictive active space self-consistent field Restrictive active space self-consistent field RASSCF) SCF complete active-space Self-consistent field method complete active space, combination with Solar activity, space weather State-selective active-space methods Transition metals active space selection Valence bond structure complete active space self-consistent field Valence complete active space self-consistent field Valence complete active space self-consistent field methods