Journal of Chemical Physics, Vol.120, No.1, 67-72, 2004
Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances
The Fock space multireference coupled cluster based on an underlying bivariational self-consistent field is applied to the problem of computing complex energy associated with Auger and shape resonances in e-atom scattering. It is concluded that the Fock space multireference coupled cluster based on a bivariational self-consistent field provides a useful and practical approach to calculation of resonance parameters. Numerical results are presented for the P-2 shape resonance of Mg and Auger 1 s(-1) hole of Be. (C) 2004 American Institute of Physics.