Journal of Chemical Physics, Vol.102, No.3, 1306-1333, 1995
Application of Complete Space Multireference Many-Body Perturbation-Theory to N-2 - Dependence on Reference Space and H-0
Keywords:COUPLED-CLUSTER METHOD;SHELL HAMILTONIAN CALCULATIONS;INCOMPLETE MODEL SPACES;MOLECULAR-ORBITAL THEORY;HARTREE-FOCK THEORY;EXCITED-STATES;LINKED-DIAGRAM;ELECTRON CORRELATION;VIRTUAL ORBITALS;NATURAL ORBITALS