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Keywords:

  • Hamilton–Jacobi equation;
  • electronic energies in the states 7jσ, 8jσ, 8kσ, 7iπ, and 8jπ;
  • rovibrational energies;
  • spectroscopic constants

Abstract

We have theoretically calculated the Hmath image dynamical properties in the electronic states 7jσ, 8jσ, 8kσ, 7iπ, and 8jπ. More precisely, we have evaluated the Hmath image rovibrational energies, ωe, ωexe, ωeye, and γe using electronic energies obtained from the solution of Hamilton–Jacobi equation in association with the series established by Wind–Jaffe. The ωe calculated values are in a good accordance with theoretical data available in the literature. Furthermore, the Hmath image rovibrational energies, ωexe, ωeye, and γe values are shown here for the first time in the literature. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010