Application of spectral quantization to metastable states of C 1A′DCN

David T. Chuljian, Judith Ozment, Jack Simons

Research output: Contribution to journalArticle

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Abstract

The spectral quantization method which was successfully used previously to study bound state energies and wave functions of C 1A′DCN is extended to the low-lying metastable states of this same system. The potential energy surface employed involves the same ab initio calculational data as was used in our earlier classical trajectory and purely quantal studies. Energies and wave functions for the metastable states of DCN obtained by spectral quantization are compared to those achieved in the presumably accurate quantal study. The agreement between the quantal and special quantized wave function is not nearly as pleasing for these metastable states as it was for the bound states.

Original languageEnglish (US)
Pages (from-to)5826-5837
Number of pages12
JournalThe Journal of Chemical Physics
Volume85
Issue number10
DOIs
StatePublished - Jan 1 1986

All Science Journal Classification (ASJC) codes

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

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