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On π-shell photoionization in molecular nitrogen

Rescigno, T. N. and Gerwer, A. and McKoy, B. V. and Langhoff, P. W. (1979) On π-shell photoionization in molecular nitrogen. Chemical Physics Letters, 66 (1). pp. 116-120. ISSN 0009-2614. http://resolver.caltech.edu/CaltechAUTHORS:20151117-122645391

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Abstract

Static-exchange calculations of π-shell photoionization in molecular nitrogen yield a physically incorrect description of the 1π_u → kπ_g partial-channel cross section; difficulties are attributed to spurious perturbations arising from the intense π → π^* intravalence transition. A simple projection procedure is devised that retains the computational simplicity of the frozen-core approximation and gives cross sections in good accord with measured values.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/0009-2614(79)80380-2DOIArticle
http://www.sciencedirect.com/science/article/pii/0009261479803802PublisherArticle
Additional Information:© 1979 Elsevier B.V. Received 18 June 1979. Work performed under the auspices of the U-S-Department of Energy at Lawrence Livermore Laboratory under contract No-W-7405-Eng-48.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)W-7405-Eng-48
Record Number:CaltechAUTHORS:20151117-122645391
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20151117-122645391
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:62170
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:17 Nov 2015 23:14
Last Modified:13 Feb 2019 18:06

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