Electron-impact resonant vibration excitation cross sections and rate coefficients for carbon monoxide

Abstract

Resonant vibrational and rotation-vibration excitation cross sections for electron-CO scattering are calculated in the 0-10 eV energy range for all 81 vibrational states of CO, assuming that the excitation occur via the 2 Π shape resonance. Static exchange plus polarization calculations performed using the R-matrix method are used to estimate resonance positions and widths as functions of internuclear separation. The effects of nuclear motion are considered using a local complex potential model. Good agreement is obtained with available experimental data on excitation from the vibrational ground state. Excitation rates and cross sections are provided as a functions of the initial CO vibrational state for all ground state vibrational levels.a v.laporta@ucl.ac.uk

Electron collisions with excited molecules in low temperature plasmas

“…Potential curve for the CO ground electronic state has been obtained by structure calculations using the quantum chemistry code MOLPRO [12], while the resonant state CO − ( 2 P) potential energies and the width were calculated by the R-matrix method [13]. The cross sections were found to be in good agreement with previous theoretical calculations [14] and with the experiments [15] as shown in Fig.…”

Theoretical vibrational-excitation cross sections and rate coefficients for electron-impact resonant collisions involving rovibrationally excited N2and NO molecules

“…As mentioned earlier, we calculated the cross sections and rate coefficients as a function of the electron energy and electron temperature, respectively, for all possible electronimpact-induced rovibrational transitions occurring according to the processes (1) and (2). Since the database produced is prohibitively large to be completely shown in the present paper, in this Section we limit ourselves to the discussion of some particular cases.…”

“…(8), for Γ, were considered as phenomenological external parameters of the model and empirically adjusted. Their values are given in Table 2 for both the processes (1) and (2). The shift operator ∆(R), in Eq.…”

“…(2) In both cases, the two molecules are initially in their respective ground electronic state and in one of the associated vibrational levels, labeled by the quantum number v i , ranging from 0 through 67 for N 2 and 54 for NO and a fixed rotational quantum number J. The capture of the incident electron leads to the formation of a resonant negative ion which, after autoionization, decays back to some level v f of the neutral molecule.…”

“…In this paper we present complete sets of cross section data for both the excitation processes (1) and (2), connecting all the vibrational levels of N 2 and NO molecules, and for an incident electron energies interval below 10 eV. We have also extended the calculations to rotationally elastic resonant excitations of both the molecules (J ≤ 150 and ∆J = 0).…”