Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance

Michael F Falcetta; Mark C Fair; Emily M Tharnish; Lorna M Williams; Nathan J Hayes; Kenneth D Jordan

doi:10.1063/1.4943132

Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance

J Chem Phys. 2016 Mar 14;144(10):104303. doi: 10.1063/1.4943132.

Authors

Michael F Falcetta¹, Mark C Fair¹, Emily M Tharnish¹, Lorna M Williams¹, Nathan J Hayes¹, Kenneth D Jordan²

Affiliations

¹ Department of Chemistry, Grove City College, Grove City, Pennsylvania 16127, USA.
² Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.

PMID: 26979689
DOI: 10.1063/1.4943132

Abstract

The stabilization method is used to calculate the complex potential energy curve of the (2)Π state of CO(-) as a function of bond length, with the refinement that separate potentials are determined for p-wave and d-wave attachment and detachment of the excess electron. Using the resulting complex potentials, absolute vibrational excitation cross sections are calculated as a function of electron energy and scattering angle. The calculated cross sections agree well with experiment.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.