Journal of Chemical Physics, Vol.102, No.18, 7116-7123, 1995
On the Singlet-Triplet Separation in Methylene - A Critical Comparison of Single-Versus 2-Determinant (Generalized Valence-Bond) Coupled-Cluster Theory
Keywords:INCOMPLETE MODEL SPACE;ELECTRONIC-STRUCTURE THEORY;POTENTIAL-ENERGY SURFACES;SHELL HARTREE-FOCK;HILBERT-SPACE;CONFIGURATION-INTERACTION;1A1-3B1 SEPARATION;QUANTUM-CHEMISTRY;BASIS-SETS;STATES