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Comparison of three methods for calculation of electron transfer probability in \(\text{H}^{+} + \text{Ne}\). (English) Zbl 1255.81243

Summary: We have developed a theoretical model of ion-atom collisions where we described electron dynamics by the time-dependent density-functional theory (TDDFT) and the ion dynamics by classical mechanics through the Ehrenfest method. We have compared three methods to calculate the probability of electron transfer during \(\text{H}^{+} + \text{Ne}\) collision. By discussing these issues we shall be able to understand how these methods work, what their limitations are and whether they admit of any improvements.

MSC:

81V45 Atomic physics
81U35 Inelastic and multichannel quantum scattering
81Q20 Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory
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