• On the development of many-body theories for intramolecular dynamics

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/099/01-02/0061-0065

    • Keywords

       

      Coupled cluster method; intramolecular dynamics; time-dependent generalizations

    • Abstract

       

      The efficacy of using time-dependent generalizations of the closed shell coupled cluster method for intramolecular processes associated with non-degenerate vacuum in the context of molecular absorption spectra is examined. Since the separability requirements are built into such an ansatz for the time evolution operator, it is possible to develop approximations which can take into account any number of modes, with much less computational effort than in a calculation by basis set expansion.

    • Author Affiliations

       

      M Durga Prasad1

      1. School of Chemistry, University of Hyderabad, Central University PO, Hyderabad - 500 134, India
    • Dates

       
  • Journal of Chemical Sciences | News

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