Journal of Chemical Physics, Vol.102, No.12, 4909-4918, 1995
The Choice of a Zeroth-Order Hamiltonian for 2nd-Order Perturbation-Theory with a Complete Active Space Self-Consistent-Field Reference Function
Keywords:MOLLER-PLESSET SERIES;OPEN-SHELL;WAVE-FUNCTIONS;CONVERGENCE;ACCELERATION;MOLECULES;STATE;ENERGIES;SINGLET;SYSTEMS