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Calculation of excited molecular states taking account of partial relaxation of the core

  • Optics and Spectroscopy
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Soviet Physics Journal Aims and scope

Abstract

Effects of electron-core relaxation in the excitation of atomic systems are considered. A new approach to the consideration of relaxation is proposed, and the corresponding equations are obtained. In the π-electron approximation, the first excited states of some organic molecules are calculated by the V(N−1)-potential method, the Morokuma-Iwata method, and a method proposed in the present work.

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Literature cited

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Authors and Affiliations

  1. V. D. Kuznetsov Siberian Physicotechnical Institute at the State University, Tomsk

    E. I. Cheglokov, Yu. M. Lirmak & A. F. Terpugova

Authors
  1. E. I. Cheglokov
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  2. Yu. M. Lirmak
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  3. A. F. Terpugova
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Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 55–59, October, 1985.

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Cheglokov, E.I., Lirmak, Y.M. & Terpugova, A.F. Calculation of excited molecular states taking account of partial relaxation of the core. Soviet Physics Journal 28, 813–816 (1985). https://doi.org/10.1007/BF00897956

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  • DOI: https://doi.org/10.1007/BF00897956

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