Second order many-body perturbation approximations to the coupled cluster Green's function

Abstract

The time-consuming step in coupled cluster Green's function or equivalently equation of motion coupled cluster calculations of ionization potentials is the solution of the CCSD equations. We investigate here the accuracy that can be obtained if the CCSD coefficients are replaced by their MBPT(2) analogs. We discuss some additional diagonal approximations that might prove especially useful in polymer calculations, and compare with traditional Green's function calculations based on a second order approximation to the irreducible self-energy. © 1995 American Institute of Physics.