Account of asymptotic couplings in collisional dynamics of H2 quasimolecule

Authors

DOI:

https://doi.org/10.33910/2687-153X-2026-7-3-131-136

Keywords:

inelastic processes, nonadiabatic transitions, asymptotic couplings, mutual neutralization, cross sections, hydrogen

Abstract

This work studies mutual neutralization processes in H– + H+ collisions using the reprojection method within the Born–Oppenheimer approach. This method enables nuclear dynamical calculations with non-vanishing radial couplings at large internuclear distances. Such calculations were performed for a mixed basis set of 1Σg and 1Σu molecular states with radial coupling matrix elements with analytically calculated asymptotic values. The partial mutual neutralization cross sections are calculated for a collision energy range from 0.001 to 100 eV.

References

Belyaev, A. K. (2022) Reprojection method for inelastic processes in atomic collisions within Born-Oppenheimer approach. Physics of Complex Systems, 3 (1), 25–36. https://doi.org/10.33910/2687-153X-2022-3-1-25-36 (In English)

Belyaev, A. K. (2010) Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions. Physical Review A, 82, article 060701(R). https://doi.org/10.1103/PhysRevA.82.060701 (In English)

Hedvall, P., Hörnquist, J., Yakovlev, S. L. et al. (2024) Treatment of asymptotic non-adiabatic couplings with higher order reprojection method in the diabatic representation. Journal of Chemical Physics, 161 (5), article 054303. https://doi.org/10.1063/5.0213714 (In English)

Hörnquist, J., Hedvall, P., Larson, A. (2022) Mutual neutralization in H+ + H– collisions: An improved theoretical model. Physical Review A, 106, article 062821. https://doi.org/10.1103/PhysRevA.106.062821 (In English)

Nkambule, S., Elander, N., Larson, Å. et al. (2016) Differential and total cross sections of mutual neutralization in low-energy collisions of isotopes of H+ +H–. Physical Review A, 93, article 032701. https://doi.org/10.1103/PhysRevA.93.032701 (In English)

Stenrup, M., Larson, A., Elander, N. (2009) Mutual neutralization in low-energy H+ + H− collisions: A quantum ab initio study. Physical Review A, 79, article 012713. https://doi.org/10.1103/PhysRevA.79.012713 (In English)

Yakovlev, S. L., Yarevsky, E. A., Elander, N. O., Belyaev, A. K. (2018) Asymptotic solution of a multichannel scattering problem with a nonadiabatic coupling. Theoretical and Mathematical Physics, 195 (3), 874–885. https://doi.org/10.1134/S0040577918060065 (In English)

Published

15.10.2026

Issue

Section

Theoretical Physics