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 language | English |
|---|---|
| Article number | 075202 |
| Journal | Journal of Physics B: Atomic, Molecular and Optical Physics |
| Volume | 53 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - 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