AN AB-INITIO STUDY OF LOW-ENERGY-ELECTRON SCATTERING OFF CYCLOPROPANE

Citation
T. Beyer et al., AN AB-INITIO STUDY OF LOW-ENERGY-ELECTRON SCATTERING OFF CYCLOPROPANE, Journal of physics. B, Atomic molecular and optical physics, 30(15), 1997, pp. 3431-3444
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
30
Issue
15
Year of publication
1997
Pages
3431 - 3444
Database
ISI
SICI code
0953-4075(1997)30:15<3431:AASOLS>2.0.ZU;2-3
Abstract
Elastic cross sections for electron scattering off cyclopropane are ca lculated employing the R-matrix formalism. Calculations are reported b oth within the static exchange approximation and when electron correla tion is included at the static exchange plus polarization level. The e xperimentally observed resonance in A(2)' symmetry at 5.5 eV is reprod uced. The computed energy position of the resonance is found to be sen sitive to the level on which electron correlation is taken into accoun t. Differential cross sections are calculated and compared with experi mental results.