Electron-F2Ocollision study using theR-matrix method

Abstract

The present study deals with the calculation of differential, elastic integral, momentum transfer, and excitation cross sections for electron-${\mathrm{F}}_{2}\mathrm{O}$ collision in a 16-state $R$-matrix method. Configuration interation (CI) wave functions are used to represent the target states. The CI model gave an adequate description of the vertical excitation spectrum from the equilibrium geometry of the ground state ${X}^{1}\phantom{\rule{0.2em}{0ex}}{A}_{1}$ of the ${\mathrm{F}}_{2}\mathrm{O}$ molecule that spans the energy range $4.21--10.21\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$. Our calculated dipole moment of $0.224\phantom{\rule{0.3em}{0ex}}\mathrm{D}$ is in good agreement with the experimental value $0.297\phantom{\rule{0.3em}{0ex}}\mathrm{D}$. We also found two broad shape resonances in $^{2}A_{1}$ and $^{2}B_{2}$ scattering symmetries and both resonances support dissociative electron attachment. A born correction is applied for the elastic and dipole allowed transitions to account for higher partial waves $(lg4)$ excluded in the $R$-matrix calculation. All cross sections are presented for incident electron energies up to $15\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$. Our results are compared with cross sections of ${\mathrm{Cl}}_{2}\mathrm{O}$ calculated at the same level of complexity using the $R$-matrix method.