Theoretical study on the photofragment branching ratios and anisotropy parameters of ICl in the second absorption band

Takahide Matsuoka, Satoshi Yabushita

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Potential energy curves, transition dipole moments, and non-adiabatic coupling terms of the excited states of ICl molecule have been obtained by the spin-orbit configuration interaction method to examine the branching ratios and the anisotropy parameters of the photodissociation process in the second absorption band. The calculation of the branching ratios with the time-dependent coupled Schrödinger equations, including the quantum interference effect between the 0+(III) and 0+(IV) states, shows good agreement with recent experiments, thus resolves the long standing disagreement. The contribution of the quantum interference effect to the photodissociation process is discussed based on a time-dependent perturbation treatment.

Original languageEnglish
Pages (from-to)75-79
Number of pages5
JournalChemical Physics Letters
Volume592
DOIs
Publication statusPublished - 2014 Jan 30

ASJC Scopus subject areas

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

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