Journal of Chemical Physics, Vol.102, No.5, 2013-2023, 1995
Spin-Adapted Open-Shell State-Selective Coupled-Cluster Approach and Doublet Stability of Its Hartree-Fock Reference
Keywords:MOLECULAR ELECTRONIC WAVEFUNCTIONS;CONFIGURATION INTERACTION;PERTURBATION-THEORY;TRIPLE EXCITATIONS;EXCITED CLUSTERS;WAVE-FUNCTIONS;PAIR APPROACH;MODEL SPACE;SYSTEMS;ATOMS