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Cubic-grid Gaussian basis sets for electron scattering calculations IV |
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| Authors: | Vojtěch Hrouda Martin Polášek Petr Čársky Josef Michl |
| Institution: | (1) J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolej kova 3, 18223 Prague 8, Czech Republic;(2) Department of Chemistry and Biochemistry, University of Colorado at Boulder, 80309-0215 Boulder, CO, USA |
| Abstract: | Summary An analytical formula has been derived for averaging the differential cross section for electron scattering with respect to isotropic target molecule orientation. It may be applied to any type ofT-matrix element  k
out|T|k
in in which the plane-wave functionsk
out andk
in are expanded in a set ofs-type Gaussian functions. The formula for averaging was tested against results obtained by Monte-Carlo-type calculations and against experimental data for elastic electron scattering by the H2 molecule. |
| Keywords: | Electron scattering T-matrix method Molecular orientation averaging |
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