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Single- and double-ionization processes using Gaussian-type orbitals: Benchmark on antiproton-helium collisions in the keV-energy range

J. W. Gao1, T. Miteva2, Y. Wu3, J. G. Wang3, A. Dubois2, and N. Sisourat2,*

  • 1Key Laboratory of Radiation Physics and Technology of Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China
  • 2Sorbonne Université, CNRS, Laboratoire de Chimie Physique - Matière et Rayonnement, F-75005 Paris, France
  • 3Institute of Applied Physics and Computational Mathematics, 100088, Beijing, China

  • *nicolas.sisourat@sorbonne-universite.fr

Phys. Rev. A 103, L030803 – Published 22 March, 2021

DOI: https://doi.org/10.1103/PhysRevA.103.L030803

Abstract

We present a simple and efficient method for computing single and double ionization cross sections in ion-atom and ion-molecule collisions using L2 Gaussian basis sets. Gaussian functions are widely employed to compute bound states of ions, atoms, and molecules. However, the description of continuum states, and therefore ionization phenomena, remains a theoretical challenge. Our approach is tested on the benchmark system antiproton-helium collisions in the so-called intermediate energy range. A good agreement with numerically exact calculations is observed. The proposed method is general and can thus be employed in any collisional systems in the challenging nonperturbative regime. Our work opens the way to investigate multiple ionization processes by ion impact in multicenter polyelectronic systems.

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