Applications of the stieltjes-tchebycheff procedure for atomic and molecular photoionization calculations in Hilbert space

Abstract

The Stieltjes-Tchebycheff procedure provides a basis for performing atomic and molecular photoionization calculations entirely in Hilbert space employing appropriately chosen dynamical approximations to the interactions between radiation and matter. Recent applications of the method in the cases of atomic lithium and molecular nitrogen and formaldehyde are described here. The photoionization profiles obtained from the Stieltjes-Tchebycheff procedure employing explicitly correlated basis functions for lithium, Hartree-Fock static-exchange calculations for nitrogen, and configuration-interaction calculations for formaldehyde are in good accord with corresponding cross-sectional measurements.