Electronic excitation of formaldehyde by low-energy electrons: A theoretical study using the complex Kohn variational method

T. N. Rescigno, Byron H. Lengsfield, III, and C. William McCurdy
Phys. Rev. A 41, 2462 – Published 1 March 1990
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Abstract

We report results of a fully ab initio treatment of electronic excitation in a polyatomic molecule by electron impact. We have calculated total and differential cross sections for exciting the two lowest (n→π*)1,3A2 excited states of H2CO for collision energies between 5 and 20 eV. The calculations were carried out in a three-state close-coupling approximation using the complex Kohn variational method. The absence of any backward peaking in the cross sections calculated for the A23 state is reminiscent of a rigorous selection rule for Σ+-Σ transitions in linear molecules. However, with no experimental studies available for comparison, the present results must be regarded as predictive.

  • Received 6 November 1989

DOI:https://doi.org/10.1103/PhysRevA.41.2462

©1990 American Physical Society

Authors & Affiliations

T. N. Rescigno and Byron H. Lengsfield, III

  • Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550

C. William McCurdy

  • Department of Chemistry, The Ohio State University, Columbus, Ohio 43210

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Vol. 41, Iss. 5 — March 1990

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