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Photoionization of the 3σ and 1π orbitals of CH

Lee, M.-T. and Stephens, J. A. and McKoy, V. (1990) Photoionization of the 3σ and 1π orbitals of CH. Journal of Chemical Physics, 92 (1). pp. 536-540. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20151028-114729458

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Abstract

We report the results of theoretical studies of photoionization cross sections and photoelectron angular distributions for the 3σ and 1π levels of CH leading to the A ^1Π, a ^3Π, and X ^1Σ^+ molecular ions. The calculations employed multiplet‐specific Hartree–Fock potentials and numerical photoelectron continuum orbitals, obtained using the iterative Schwinger variational method. Noticeable nonstatistical behavior of the cross sections is seen for the 3σ level near threshold, although deviations are not significant at higher photon energies. A comparison with some previous theoretical studies is made.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.458456DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/92/1/10.1063/1.458456PublisherArticle
Additional Information:© 1990 American Institute of Physics. (Received 9 August 1989; accepted 14 September 1989) This work was supported by grants from the National Science Foundation (CHE-8521391), Air Force Office of Scientific Research (Contract No. 87-0039), and the Office of Health and Environmental Research of the U.S. Department of Energy (DE-FG03-87ER60513). We also acknowledge use of resources of the San Diego SuperComputer Center, which is supported by the National Science Foundation. One of us (L.M.T.) thanks Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) for financial support and the Brazilian agency Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) for a research fellowship. Contribution No. 8009.
Funders:
Funding AgencyGrant Number
NSFCHE-8521391
Air Force Office of Scientific Research (AFOSR)87-0039
Department of Energy (DOE)DE-FG03-87ER60513
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)UNSPECIFIED
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)UNSPECIFIED
Other Numbering System:
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Caltech Arthur Amos Noyes Laboratory of Chemical Physics8009
Issue or Number:1
Record Number:CaltechAUTHORS:20151028-114729458
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151028-114729458
Official Citation:Photoionization of the 3σ and 1π orbitals of CH Lee, M.‐T. and Stephens, J. A. and McKoy, V., The Journal of Chemical Physics, 92, 536-540 (1990), DOI:http://dx.doi.org/10.1063/1.458456
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61638
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:28 Oct 2015 23:03
Last Modified:03 Oct 2019 09:10

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