Application of a grid numerical method to calculate state-selective cross sections for electron capture inBe4++H(1s)collisions

Abstract

Charge-transfer n partial cross sections have been calculated for collisions of Be 4+ with H(1s) by means of a versatile lattice method that is applicable in a wide energy range (between 1 and 500 keV/u). The cross sections, which include up to the high-lying n = 8 level, are compared to existing semiclassical calculations in order to quantify the accuracy of the results. The reliability of the lattice method at high impact energies is confirmed by comparison with classical trajectory Monte Carlo calculations. It is found that the n partial cross sections larger than 10 −18 cm 2 , calculated using the lattice method, agree with differences smaller than 15% with those from the method considered the most accurate at each energy. The calculation yields as well accurate total electron capture cross sections, which are studied in detail at E = 100 keV/u to obtain a converged value.

A classical and semiclassical study of collisions between Xq+ions and water molecules

“…To calculate p cap k , we have extended the method employed by Jorge et al 44 . In this calculation, the Li 3+ projectile is fixed at the origin of electronic coordinates and the target molecule moves along a rectilinear trajectory.…”

“…For instance, it allows us to consider several molecular orientations, without carrying out a prohibitively expensive calculation. As in the study of ion-atom collisions 44 , we have considered a semiclassical alternative to calculate the EL and EP total cross sections for the He 2+ +H 2 O system. This semiclassical calculation involves the direct numerical solution of the time-dependent Schrödinger equation (TDSE).…”

State selective classical electron capture cross sections in Be4+ + H(1s) collisions with mimicking quantum effect

“…It is worth noting that all the results have been published for projectile energy below 100 keV/amu. The calculation of the principle quantum number, n , dependent cross sections has been studied by Jorge et al 15 by solving the time-dependent Schrödinger equation with the GridTDSE package (GTDSE) numerically in the broad energy range between 1 keV/amu and 500 keV/amu.…”

State-Selective Electron Capture Cross Sections in Collision Between Be4+ and Ground State Hydrogen Atom – Significant Improvement in the Classical Treatment

“…It is worth noting that all the results have been published for projectile energy below 100 keV/amu. The calculation of the principle quantum number, n, dependent cross sections has been studied by Jorge et al 15 by solving the time-dependent Schrödinger equation with the GridTDSE package (GTDSE) numerically in the broad energy range between 1 keV/amu and 500 keV/amu. In this work we present the electron capture cross sections into the bound states of the projectile in Be 4+ +H(1s) collisions.…”