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Published September 15, 1979 | public
Journal Article

On π-shell photoionization in molecular nitrogen

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.

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.

Additional details

Created:
August 19, 2023
Modified:
October 25, 2023