Stephens, J. A. and McKoy, V. (1988) Photoionization of the valence orbitals of OH. Journal of Chemical Physics, 88 (3). pp. 1737-1742. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120607-131526496
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We report the results of studies of the photoionization cross sections and asymmetry parameters for the 3σ and 1π levels of OH, corresponding to the production of the A ^3Π, c ^1Π, a ^1Δ, b ^1Σ+, and X ^3Σ− 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, mainly for the 1π level, although deviations are not as pronounced as in other open‐shell systems. Comparison with fragmentary experimental data is encouraging, although synchrotron radiation studies are needed to fully assess the accuracy of the calculated cross sections.
|Additional Information:||© 1988 American Institute of Physics. Received 14 September 1987; accepted 13 October 1987. 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 (J.A.S.) wishes to thank Dr. Kimberly Schugart for helpful discussions and for pointing out Ref. 19.|
|Subject Keywords:||PHOTOIONIZATION, PHOTOELECTRON SPECTROSCOPY, HYDROXYL RADICALS, ELECTRONIC STRUCTURE, CROSS SECTIONS|
|Classification Code:||PACS: 33.80.Eh; 33.60.+q; 31.15.A-|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||07 Jun 2012 21:16|
|Last Modified:||26 Dec 2012 15:19|
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