Probability currents in inelastic atomic collision studies

Authors

DOI:

https://doi.org/10.33910/2687-153X-2024-5-2-74-82

Keywords:

atomic collisions, probability current, Tully models, transition probability, Landau–Zener model, diabatic representation

Abstract

The rigorous probability current method within the quantum collision theory is tested in detail on the Tully A and B models for a single traverse of nonadiabatic regions during atomic collisions. Calculations are performed in a diabatic representation by numerical integration of the coupled channel equations for nuclear radial wave functions. The results of precise quantum calculations are compared with those predicted by the Landau–Zener model for the same electronic structures. It is established that the probability current method is an efficient tool for investigations of inelastic atomic collision processes.

References

Belyaev, A. K. (2013) Model approach for low-energy inelastic atomic collisions and application to Al+H and Al+ + H−. Physical Review A, 88 (5), article 052704. https://doi.org/10.1103/PhysRevA.88.052704 (In English)

Belyaev, A. K., Grosser, J. (1996) Theoretical treatment of inelastic thermal He+ + Hg collisions. Journal of Physics B: Atomic, Molecular and Optical Physics, 29 (23), article 5843. https://doi.org/10.1088/0953-4075/29/23/024 (In English)

Belyaev, A. K., Lebedev, O. V. (2011) Nonadiabatic nuclear dynamics of atomic collisions based on branching classical trajectories. Physical Review A, 84 (1), article 014701. https://doi.org/10.1103/PhysRevA.84.014701 (In English)

Born, M., Oppenheimer, R. (1927) Zur quantentheorie der molekeln [On the quantum theory of molecules]. Annalen der Physik, 389 (20), 216–246. https://doi.org/10.1002/andp.19273892002 (In German)

Faddeev, L. D. (1961) Scattering theory for a three-particle system. Soviet Journal of Experimental and Theoretical Physics, 12 (5), 1014–1019. (In English)

Grosser, J., Menzel, T., Belyaev, A. K. (1999) Approach to electron translation in low-energy atomic collisions. Physical Review A, 59 (2), article 1309. https://doi.org/10.1103/PhysRevA.59.1309 (In English)

Landau, L. (1932) Zur Theorie der Energieubertragung [On the theory of energy transfer]. Physikalische Zeitschrift der Sowjetunion, 1 (2), 46–51. (In German)

Lin, C. D. (1995) Hyperspherical coordinate approach to atomic and other Coulombic three-body systems. Physics Reports, 257 (1), 1–83. https://doi.org/10.1016/0370-1573(94)00094-J (In English)

Tully, J. C. (1990) Molecular dynamics with electronic transitions. The Journal of Chemical Physics, 93 (2), 1061–1071. https://doi.org/10.1063/1.459170 (In English)

Zener, C. (1932) Non-adiabatic crossing of energy levels. Proceedings of the Royal Society A. Mathematical, Physical and Engineering Sciences, 137 (833), 696–702. https://doi.org/10.1098/rspa.1932.0165 (In English)

Published

24.06.2024

Issue

Section

Theoretical Physics