Classical and semiclassical calculations of state-selective cross sections for electron capture and excitation in Be4++ H(2s) collisions
EntityUAM. Departamento de Química
PublisherAmerican Physical Society
10.1103/PhysRevA.105.012811Physical Review A 105.1 (2022): 012811
ISSN1098-0121 (print); 1550-235X (online)
ProjectGobierno de España. FIS2017-84684-R
SubjectsClassical trajectory Monte Carlo; Charge-exchange recombination spectroscopy; Ions; Electron capture; Química
Rights© 2022 American Physical Society
Esta obra está bajo una Licencia Creative Commons Atribución 4.0 Internacional.
A computational study of Be4++H(2s) collisions has been carried out. Two computational models have been employed: the classical trajectory Monte Carlo (CTMC) method and the numerical solution of the time-dependent Schrödinger equation (GTDSE). The integral n and nl partial cross sections for H excitation and electron capture, obtained with both methods, are compared at two energies: 20 and 100 keV/u. It is shown that the CTMC, with an improved hydrogenic initial distribution, provides excitation cross sections in good agreement with the numerical calculation for excitation to H(n) with n>3. The agreement between the corresponding nl partial cross sections from both methods is less satisfactory at 100 keV/u, where there is a transition from the low-energy mechanism that involves an increase of the populations with l, and the high-energy mechanism, where the dipole-allowed transitions are dominant. The electron capture cross sections calculated with the CTMC method do not depend on the initial distribution and show a reasonable agreement with the GTDSE ones, which supports the use of the CTMC method to calculate electron capture cross sections into highly excited levels and total cross sections. The mechanism of the electron capture process is discussed and CTMC calculations of the ionization process are also presented
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