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
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.