Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the {sup 2}Π shape resonance

Journal Article · Mon Mar 14 00:00:00 EDT 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4943132· OSTI ID:22660780

Fair, Mark C.; Tharnish, Emily M.; Williams, Lorna M.; Hayes, Nathan J. ^[1]; Jordan, Kenneth D. ^[2]

---

1. Department of Chemistry, Grove City College, Grove City, Pennsylvania 16127 (United States)
2. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

The stabilization method is used to calculate the complex potential energy curve of the {sup 2}Π state of CO{sup −} 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.

• OSTI ID: 22660780
• Journal Information: Journal of Chemical Physics, Vol. 144, Issue 10; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BOND LENGTHS
COMPUTER CALCULATIONS
CROSS SECTIONS
ELECTRIC POTENTIAL
EXCITATION
POTENTIAL ENERGY