Quantization of the 3×3 nonadiabatic coupling matrix for three coupled states of the C2H molecule

A. M. Mebel, G. J. Halász, Á Vibók, A. Alijah, M. Baer

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Abstract

The quantization of the 3×3 nonadiabatic coupling matrix for three coupled states of the C2H molecule was analyzed. The quantization was shown to be satisfied along four different contours surrounding the relevant conical structures. It was shown that the cases where the two-state quantization failed, a three-state quantization was satisfied. The three state topological features was treated by calculating three relevant Euler-type angles along the closed contour.

Original languageEnglish
Pages (from-to)991-1000
Number of pages10
JournalJournal of Chemical Physics
Volume117
Issue number3
DOIs
Publication statusPublished - Jul 15 2002

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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