Generalized oscillator strengths of low-lying electronic excitations in acetylene

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3 Citations (Scopus)

Abstract

This paper reports a theoretical study on electron-impact excitations of acetylene. Momentum-transfer-dependent generalized oscillator strengths (GOSs) or GOS profiles have been calculated using wavefunctions at the equation-of-motion coupled-cluster singles and doubles level. In the calculation the influence of molecular vibration has been taken into account. The computed results are in overall agreement with experimental GOS profiles reported in the literature. Our theoretical analysis has revealed prominent roles of bending vibrations in the low-lying valence excitations induced by electron impact.

Original languageEnglish
Article number075202
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume53
Issue number7
DOIs
Publication statusPublished - 2020 Apr 14

Keywords

  • acetylene
  • electron energy loss spectroscopy
  • generalized oscillator strength
  • vibronic effect

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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