Molecular photoionization cross sections in electron propagator theory: angular distributions beyond the dipole approximation

G M Seabra; I G Kaplan; J V Ortiz

doi:10.1063/1.2043087

Molecular photoionization cross sections in electron propagator theory: angular distributions beyond the dipole approximation

J Chem Phys. 2005 Sep 15;123(11):114105. doi: 10.1063/1.2043087.

Authors

G M Seabra¹, I G Kaplan, J V Ortiz

Affiliation

¹ Department of Chemistry, Kansas State University, Manhattan 66506-3701, USA.

PMID: 16392549
DOI: 10.1063/1.2043087

Abstract

Corrections to dipole approximation results for angular distributions in photoionization of first-row hydrides have determined by using Dyson orbitals calculated with ab initio electron propagator theory and by considering the full multipole expansion for the incident photon representation. The relative importance of first-order corrections which consist of electric quadrupole and magnetic dipole terms and of higher-order terms has been estimated as a function of photon energy. Multipole corrections to the dipole approximation depend on photon energy and on the characteristics of the Dyson orbitals.