title: Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on Auger and shape resonances.
abstract: 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.
authors.affiliation: Theory Group, Physical Chemistry Division, National Chemical Laboratory, Pune 411 008, India.
authors.forename: Y
authors.initials: Y
authors.lastname: Sajeev
authors.forename: Manoj K
authors.initials: MK
authors.lastname: Mishra
authors.forename: Nayana
authors.initials: N
authors.lastname: Vaval
authors.forename: Sourav
authors.initials: S
authors.lastname: Pal