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. doi:10.1063/1.458456. 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.
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| 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. | ||||||||||||
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| Issue or Number: | 1 | ||||||||||||
| DOI: | 10.1063/1.458456 | ||||||||||||
| 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: | 10 Nov 2021 22:51 |
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