Lucchese, Robert R. and McKoy, Vincent (1981) Accurate Hartree-Fock vibrational branching ratios in 3σg photoionisation of N2. Journal of Physics B: Atomic and Molecular Physics, 14 (20). L629-L634. ISSN 0022-3700. http://resolver.caltech.edu/CaltechAUTHORS:LUCjpb81
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The authors report vibrational branching ratios for resonant photoionisation of N2 leading to the X2 Sigma g+ state of N2+. Their theoretical values are obtained from an accurate solution of the adiabatic-nuclei frozen-core Hartree-Fock model of molecular photoionisation. In contrast to other theoretical results the present results are in very good agreement with experimental measurements. Differences between the present and previous calculations are discussed.
|Additional Information:||Copyright © Institute of Physics and IOP Publishing Limited 1981. Received 24 June 1981. Print publication: Issue 20 (28 October 1981) This research is based upon work supported by the National Science Foundation under Grant No CHE79-15807. One of us (RRL) acknowledges support from an Exxon Educational Foundation Fellowship. The research reported in this paper made use of the Dreyfus-NSF Theoretical Chemistry Computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation (Grant No CHE78-20235), and the Sloan Fund of the California Institute of Technology. This research was also supported in part by an Institutional Grant from the United States Department of Energy, No EY-76-G-03-1305. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No 6450.|
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