Abstract

Purpose. To construct an asymptotics of a quasiclassical type for the two-center wave function of the tunneliding electron used for calculating of the two-electron exchange interaction in the problems of ion-molecular collisions with particle rearrangement.
Methods. The semiclassical method and the Green’s function formalism have been used for construction of the asymptotically correct two-center wave functions of a homonuclear diatomic molecule and a dipole-bound anion in the vicinity of a perturbing multiply charged ion.
Results. We have constructed the semiclassical representation for the two-center one-electronic wave function of the quasimolecular system, which consist of the atomic ion and diatomic homonuclear molecule or dipole-bound anion, in the whole region of configuration space at large separation between colliding particles.
Conclusions. An analytical study of the asymptotic properties (at large distances between interacting particles) of the quasimolecular systems that consists of an ion and a homonuclear diatomic molecule or dipole-bound anion has been carried out. The new analytical representations for the two-center one-electronic wave functions of the quasimolecular systems in the whole region of configuration space at large separation between colliding particles has been obtained in the framework of the semiclassical version of the asymptotic approach and the method of Green’s function

Keywords: asymptotic theory, Green’s function method, two-center electronic wave function, semiclassical asymptotics, two-electron ion-molecular collisions with particle rearrangement

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