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Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis

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Advances in the Theory of Atomic and Molecular Systems

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 19))

Abstract

This review addresses the rules for the ordering and the splitting of the excited states for the transitions between degenerate orbitals. First, the generality of the rules for the degenerate excitations is examined numerically by highly correlated methods for various types of systems, having D∞h, C∞v, Td, Oh, and Ih symmetries. Next, the qualitative interpretation of the rules for degenerate excitations is demonstrated by adopting the frozen-orbital approximation/analysis.

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Author information

Authors and Affiliations

  1. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 169-8555, Tokyo, Japan

    Hiromi Nakai

Authors
  1. Hiromi Nakai
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Correspondence to Hiromi Nakai .

Editor information

Editors and Affiliations

  1. Department of Chemistry, Michigan State University, 48824, East Lansing, MI, USA

    Piotr Piecuch

  2. Laboratoire de Chimie Physique CNRS and UPMC, 11 Rue Pierre et Marie Curie, F-75005, Paris, France

    Jean Maruani

  3. Instituto de Física Fundamental, CSIC, Serrano 123, E-28006, Madrid, Spain

    Gerardo Delgado-Barrio

  4. Physical & Theoretical Chemistry Laboratry, University of Oxford, South Parks Road, OX1 3QZ, Oxford, UK

    Stephen Wilson

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Nakai, H. (2009). Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis. In: Piecuch, P., Maruani, J., Delgado-Barrio, G., Wilson, S. (eds) Advances in the Theory of Atomic and Molecular Systems. Progress in Theoretical Chemistry and Physics, vol 19. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-2596-8_18

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