THE SEPARABLE REPRESENTATION OF EXCHANGE IN ELECTRON-MOLECULE SCATTERING .1. ELASTIC-SCATTERING AND ROTATIONAL-EXCITATION

Citation
G. Danby et al., THE SEPARABLE REPRESENTATION OF EXCHANGE IN ELECTRON-MOLECULE SCATTERING .1. ELASTIC-SCATTERING AND ROTATIONAL-EXCITATION, Journal of physics. B, Atomic molecular and optical physics, 29(11), 1996, pp. 2265-2287
Citations number
55
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
29
Issue
11
Year of publication
1996
Pages
2265 - 2287
Database
ISI
SICI code
0953-4075(1996)29:11<2265:TSROEI>2.0.ZU;2-6
Abstract
We have investigated a systematic procedure for representing, as a sep arable expansion, the exchange interaction in electron-molecule scatte ring. Illustrative calculations of scattering quantities (eigenphase s ums, total cross sections and rotationally-resolved differential cross sections) have been performed for electron scattering from molecular hydrogen in the fixed-nuclear-orientation approximation. The exchange basis can be constructed from the same Cartesian Gaussian functions us ed to generate the near-Hartree-Fock static interaction, supplemented by an even-tempered series of Gaussian functions located on the molecu lar centre of mass. Particular emphasis is placed on examining the con vergence properties of this series.