Electron impact excitations of S2 molecules

TL;DR

This study investigates low-energy electron impact excitations of S_2 molecules using advanced quantum mechanical methods, providing detailed cross sections for elastic and inelastic collisions of various electronic states.

Contribution

It applies the fixed-bond R-matrix method with state-averaged complete active space SCF orbitals to compute excitation cross sections for S_2 molecules, including differential and integrated data.

Findings

Integral cross sections for elastic and inelastic collisions are calculated.

Differential cross sections are obtained for specific excited states.

The excitation cross section for the B^3 Sigma_u^- state aligns well with previous theoretical results.

Abstract

Low-energy electron impact excitations of S_2 molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as well as impact excitation of the 7 lowest excited electronic states. Also, differential cross sections are obtained for elastic collision and excitation of the a^1 Delta_g, b^1 Sigma_g^+ and B^3 Sigma_u^- states. The integrated cross section of optically allowed excitation of the B^3 Sigma_u^- state agrees reasonably well with the available theoretical result.