Abstract:
We consider a multichannel scattering problem in an adiabatic representation. We assume that the nonadiabatic coupling matrix has a nontrivial value at large internuclear separations, and we construct asymptotic solutions at large internuclear distances. We show that these solutions up to the first order of the perturbation theory are identical to the asymptotic solutions of the reprojection approach, which was previously proposed as a means for solving the electron translation problem in the context of the Born–Oppenheimer method.
Keywords:
multichannel scattering, asymptotic solution of a scattering problem, adiabatic approximation.
The research of S. L. Yakovlev and E. A. Yarevsky is
supported by St. Petersburg State University (Project No. 11.38.241.2015).
The research of N. O. Elander is supported by a grant from the Carl Trygger Foundation.
The research of A. K. Belyaev is supported by the Russian Foundation for Basic Research (Grant No. 16-03-00149).
Citation:
S. L. Yakovlev, E. A. Yarevsky, N. O. Elander, A. K. Belyaev, “Asymptotic solution of a multichannel scattering problem with a nonadiabatic coupling”, TMF, 195:3 (2018), 437–450; Theoret. and Math. Phys., 195:3 (2018), 874–885
This publication is cited in the following 2 articles:
Patrik Hedvall, Johan Hörnquist, Sergey L. Yakovlev, Nils O. Elander, Åsa Larson, “Treatment of asymptotic non-adiabatic couplings with higher order reprojection method in the diabatic representation”, The Journal of Chemical Physics, 161:5 (2024)
S. L. Yakovlev, “Asymptotic solution of a Coulomb multichannel scattering problem with
a nonadiabatic channel coupling”, Theoret. and Math. Phys., 203:2 (2020), 664–672