Asymptotics of a semiclassical type for wave functions of quasimolecules in problems of ion-molecular collisions

Authors

  • М. Я. Євич Uzhhorod National University, Ukraine
  • М. І. Карбованець Uzhhorod National University, Ukraine

DOI:

https://doi.org/10.24144/2415-8038.2019.46.118-126

Keywords:

Asymptotic theory, Green’s function method, Two-center electronic wave function, Semiclassical asymptotics, Two-electron ion-molecular collisions with particle rearrangement,

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

References

Chibisov M. I. Asymptotic exchange interactions in ion-atom systems / M. I. Chibisov,

R. K. Janev // Phys. Rep. – 1988. – Vol. 166. – № 1. – P. 1–87.

Karbovanets M. I. Nonresonant exchange between two electrons / M. I. Karbovanets,

V. Yu. Lazur, M. I. Chibisov // Sov. Phys. JETP. – 1984. – Vol. 59. – N. 1. – P. 47–52.

Khoma M. V. Asymptotic theory of the one- and two-electron processes in slow collisions of

atomic ions with diatomic molecules / M. V. Khoma, V. Yu. Lazur, R. K. Janev // Phys. Rev.

A. – 2009. – Vol. 80. – P. 032706 (1–20).

Karbovanets O. M. Two-electron exchange interaction between polar molecules and atomic

ions. Asymptotic approach / O. M. Karbovanets, M. I. Karbovanets, M. V. Khoma,

V. Yu. Lazur // European Physical Journal D. – 2015. – Vol. 69. – P. 94 (1–10).

Karbovanets O. M. Two-electron exchange interaction in the quasimolecular systems

with long-range dipole potential / O. M. Karbovanets, M. I. Karbovanets, V. Yu. Lazur,

M. V. Khoma // Scientific Herald of Uzhhorod University. Series Physics. – 2015. – N. 38. –

P. 45–55.

Ивакин И. А. Перезарядка с возбуждением иона: Асимптотическая теория / И. А. Ивакин, М. И. Карбованец, В. Н. Островский // Оптика и спектроскопия. – 1987. – Т. 63.

– Вып. 3. – С. 494–500.

Yevych M. Ya. Charge-tr

ansfer processes into doubly excited states in a slow ion-molecule

collisions / M. Ya. Yevych, M. I. Karbovanets // Scientific Herald of Uzhhorod University.

Series Physics. – 2019. – N. 45. – P. 104–115.

Khoma M. V. A simple theoretical approach of charge transfer processes in collisions of

atomic ions with polar targets / M. V. Khoma, M. Imai, O. M. Karbovanets [et. al.] // Chemical

Physics. – 2008. – V. 352. – P. 142–146.

Khoma M. V. On the semiclassical approach in the theory of ion-diatomic exchange

interaction: its application to charge exchange reactions / M. V. Khoma, O. M. Karbovanets,

M. I. Karbovanets, R. J. Buenker // Physica Scripta. – 2008. – Vol. 78. – P. 065201 (10pp).

Chibisov M. I. Charge exchange of atoms on multiply charged ions / M. I. Chibisov // JETP.

– 1979. – Vol. 49. – No. 6. – P. 962–966.

Карбованець О. М. Квазікласичний підхід в теорії обмінної взаємодії багатозарядних

іонів з двоатомними молекулами / О. М. Карбованець // Наук. вісн. Ужг. ун-та. Cерія

“Фізика”. – 2008. – № 23. – С. 7–15.

Карбованець О. М. Метод поверхневих інтегралів в теорії обмінної взаємодії полярних

молекул з багатозарядним йоном / О. М. Карбованець, М. І. Карбованець, В. Ю. Лазур,

М. В. Хома // ЖФД. – 2010. – Т. 14. – № 4. – P. 4301 (11 c.).

Simons G. New model potential for pseudopotential calculation / G. Simons // J. Chem. Phys.

– 1971. – Vol. 55. – № 2. – P. 756–761.

Лендьел В. И. Введение в теорию атомных столкновений / В. И. Лендьел, В. Ю. Лазур,

М. И. Карбованец, Р. К. Янев. – Львов : Выща школа, 1989. – 192 с.

Compton R. N. Multipole-bound molecular anions / R. N. Compton, N. I. Hammer // In

Advances in Gas-Phase Ion Chemistry / ed. by N. Adams, I. Babcock. – New York : Elsevier

Science, 2001. – Vol. 4. – P. 257–291.

Jordan K. D. Theory of dipole-bound anions / K. D. Jordan, F. Wang // Annu. Rev. Phys.

Chem. – 2003. – Vol. 54. – P. 367–396.

Karbovanets O. M. The exchange interaction of an ion with a dipole-bound anion /

O. M. Karbovanets, M. I. Karbovanets, V. Yu. Lazur, M. V. Khoma // Scientific Herald of

Uzhhorod University. Series Physics. – 2009. – N. 25. – P. 115–121.

Published

2019-12-31

Issue

Section

Статті