CaltechAUTHORS
  A Caltech Library Service

Photoionization of the valence orbitals of OH

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

[img]
Preview
PDF - Published Version
See Usage Policy.

420Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:20120607-131526496

Abstract

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.454097 DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v88/i3/p1737_s1PublisherUNSPECIFIED
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.
Funders:
Funding AgencyGrant Number
NSFCHE-8521391
Air Force Office of Scientific Research (AFOSR)87-0039
Department of Energy (DOE) Office of Health and Environmental Research DE-FG03-87ER60513
Subject Keywords:PHOTOIONIZATION, PHOTOELECTRON SPECTROSCOPY, HYDROXYL RADICALS, ELECTRONIC STRUCTURE, CROSS SECTIONS
Classification Code:PACS: 33.80.Eh; 33.60.+q; 31.15.A-
Record Number:CaltechAUTHORS:20120607-131526496
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120607-131526496
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:31837
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:07 Jun 2012 21:16
Last Modified:26 Dec 2012 15:19

Repository Staff Only: item control page