1.
Phys Chem Chem Phys
; 22(35): 19573-19584, 2020 Sep 21.
Article
in English
| MEDLINE
| ID: mdl-32852017
ABSTRACT
Collisions of He2+, Li3+ and C3+ ions with water molecules are studied at energies ranging between 20 keV u-1 and 500 keV u-1. Three methods are employed: the classical trajectory Monte Carlo (CTMC), the expansion of the scattering wave function in terms of asymptotic frozen molecular orbitals (AFMO) and a lattice method to numerically solve the time-dependent Schrödinger equation (GridTDSE). Total cross sections for single ionization, single electron capture, transfer ionization and electron production are calculated and compared with previous close-coupling calculations and experiments. The fragmentation branching ratios are discussed.