CCC calculated integrated cross sections of electron-H$_2$ scattering

ORAL

Abstract

Recently we applied the molecular convergent close-coupling (CCC) method to electron scattering from molecular hydrogen H$_2$ [1]. Convergence of the major integrated cross sections has been explicitly demonstrated in the fixed-nuclei approximation by increasing the number of H$_2$ target states in the close-coupling expansion from 9 to 491. The calculations have been performed using a projectile partial wave expansion with maximum orbital angular momentum $L_{\rm max}=8$ and total orbital angular momentum projections $|M| \leq 8$. Coupling to the ionization continuum is modeled via a large pseudo state expansion, which we found is required to obtain reliable elastic and excitation cross sections. Here we present benchmark elastic, single-ionization, electronic excitation and total integrated cross sections over a broad energy range (0.1 to 300 eV) and compare with available experiment and previous calculations. [1] M. C. Zammit $et$ $al$. Phys. Rev. Lett. $\textbf{116}$, 233201 (2016).

Authors

  • Mark Zammit

    Theoretical Division, Los Alamos National Laboratory, Los Alamos National Laboratory

  • Dmitry Fursa

    Curtin University

  • Jeremy Savage

    Curtin University

  • Igor Bray

    Curtin University, Curtin Univ of Technology