Computation of electron impact scattering studies on benzene

Abstract

An elaborate theoretical study of electron scattering with benzene over a broad impact energy range is reported in this article. Integrated cross sections such as the electronic excitation cross section, momentum transfer cross section, ionization cross section and the total collision cross section along with the differential elastic cross section are computed at low energy (0.01–20 eV) using ab initio R-matrix employing Quantemol-N. Beyond ionization threshold, the calculations are also carried out using spherical complex optical potential (SCOP) formalism up to 5000 eV. A smooth crossover of the total cross section data is obtained through the two formalisms at the incident energy equal to 13 eV and hence we are able to study the cross sections over a wide energy range. The scattering rate coefficients using the computed elastic cross sections for this target are reported for the first time.