Journal of Chemical Physics, Vol.105, No.16, 6887-6891, 1996
On the Origin of Size Inconsistency of the 2nd-Order State-Specific Effective Hamiltonian Method
The deviations of the second-order state-specific effective Hamiltonian method from the strict size consistency are analyzed. Provided that complete or separable model spaces are used, these deviations can be suppressed by a proper choice of nonuniform shifts of energy denominators.
Keywords:PLESSET PERTURBATION-THEORY;INTERMEDIATE HAMILTONIANS;ELECTRONIC-STRUCTURE;WAVE-FUNCTIONS;BK METHOD