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 2P shape resonance of Mg and Auger 1 s(-1) hole of Be.
Sajeev
Y
Y
Theory Group, Physical Chemistry Division, National Chemical Laboratory, Pune 411 008, India.
Mishra
Manoj K
MK
Vaval
Nayana
N
Pal
Sourav
S