Vibrational excitation in the e + CO2 system: Analysis of the two-dimensional energy-loss spectrum

Article

Vibrational excitation in the e + CO2 system: Analysis of the two-dimensional energy-loss spectrum

Dvořák, J.; Ranković, M.; Houfek, K.; Nag, P.; Čurík, R.; Fedor, J.; Čížek, M.

Phys. Rev. A 106(6), 19 (2022)

Abstract

We present a detailed analysis of the two-dimensional electron energy-loss spectrum of CO2, which extends our recent Letter [Phys. Rev. Lett. 129, 013401 (2022)]. We show that our vibronic coupling model [Phys. Rev. A 105, 062821 (2022)] captures primary features of the multidimensional dynamics of the temporary molecular anion, and the calculations qualitatively reproduce the spectrum. The shape of the spectrum is given by two overlapping contributions that originate in excitation of vibrational states within Sigma(+)(g) and Pi(u) Fermi polyads. Propensity rules in terms of scattered and vibrational wave functions are also discussed to clarify the selectivity of states from the vibrational pseudocontinuum that is responsible for the observed fine structure.

Institute authors

Supported by

GACR 19-20524S — Electron-driven atomic and molecular processes - development of ab initio methods
GAUK552120 — Rezonanční srážky v nelokální teorii: konstrukce modelů a jejich použití na polyatomika

BibTeX

@article{UTF913,
  author        = {Dvořák, J. and Ranković, M. and Houfek, K. and Nag, P. and Čurík, R. and Fedor, J. and Čížek, M.},
  title         = {{Vibrational excitation in the e + CO2 system: Analysis of the two-dimensional energy-loss spectrum}},
  journal       = {Phys. Rev. A},
  volume        = {106},
  number        = {6},
  pages         = {19},
  year          = {2022},
  month         = {12},
  doi           = {10.1103/PhysRevA.106.062807},
}