Journal of Chemical Physics, Vol.101, No.10, 8938-8944, 1994
Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method
Keywords:INDEPENDENT PARTITIONING TECHNIQUE;ELECTRON PROPAGATOR THEORY;MANY-BODY METHODS;OPEN-SHELL;SYMMETRY-BREAKING;FOCK-SPACE;EXCITATION-ENERGIES;VIBRATIONAL FREQUENCIES;EXPANSION TECHNIQUES;GROUND-STATE