A classical and semiclassical study of collisions between X^q+ions and water molecules

Abstract

Collisions of He2+, Li 3+ and C3+Cppp ions with water molecules are studied at energies ranging between 20 keV/u and 500 keV/u. Three methods are employed: the classical trajectory Monte...

Classical and semiclassical calculations of state-selective cross sections for electron capture and excitation in Be4++H(2s) collisions

“…As in previous applications [30], we calculate the electron capture cross sections by moving the origin of the electron coordinate system to the Be nucleus. In our calculations, the origin is changed at Z 1 = vt 1 = −30 a 0 , when the EC process has not started yet.…”

“…In the present paper we have extended the method to evaluate excitation cross sections. In practice, the calculation involves the use of two reference frames, one with the H fixed on the origin, to calculate excitation cross sections, and another one, with the Be nucleus on the origin, to calculate EC cross sections, as previously applied for ion-molecule collisions [30]. In general, the systematic application of the GTDSE to obtain cross sections is not feasible since it requires large memory allocation and lengthy time propagations, particularly for collisions involving excited states.…”