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Title: Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions

Abstract

The quantum reprojection method within the standard adiabatic Born-Oppenheimer approach is derived for multielectron collision systems. The method takes nonvanishing asymptotic nonadiabatic couplings into account and distinguishes asymptotic currents in molecular-state channels and in atomic-state channels. The method is demonstrated for the example of low-energy inelastic Li + Na collisions for which the conventional application of the standard adiabatic Born-Oppenheimer approach fails and leads to paradoxes such as infinite inelastic cross sections.

Authors:
 [1]
  1. Department of Theoretical Physics, Herzen University, St. Petersburg 191186 (Russian Federation) and Department of Chemistry, University of Rome 'La Sapienza', I-00185 Rome (Italy)
Publication Date:
OSTI Identifier:
21528795
Resource Type:
Journal Article
Journal Name:
Physical Review. A
Additional Journal Information:
Journal Volume: 82; Journal Issue: 6; Other Information: DOI: 10.1103/PhysRevA.82.060701; (c) 2010 The American Physical Society; Journal ID: ISSN 1050-2947
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ASYMPTOTIC SOLUTIONS; BORN-OPPENHEIMER APPROXIMATION; COLLISIONS; COUPLINGS; CROSS SECTIONS; CURRENTS; INELASTIC SCATTERING; LITHIUM; MOLECULES; SODIUM; ALKALI METALS; APPROXIMATIONS; CALCULATION METHODS; ELEMENTS; MATHEMATICAL SOLUTIONS; METALS; SCATTERING

Citation Formats

Belyaev, Andrey K. Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions. United States: N. p., 2010. Web. doi:10.1103/PHYSREVA.82.060701.
Belyaev, Andrey K. Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions. United States. https://doi.org/10.1103/PHYSREVA.82.060701
Belyaev, Andrey K. 2010. "Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions". United States. https://doi.org/10.1103/PHYSREVA.82.060701.
@article{osti_21528795,
title = {Revised Born-Oppenheimer approach and a reprojection method for inelastic collisions},
author = {Belyaev, Andrey K},
abstractNote = {The quantum reprojection method within the standard adiabatic Born-Oppenheimer approach is derived for multielectron collision systems. The method takes nonvanishing asymptotic nonadiabatic couplings into account and distinguishes asymptotic currents in molecular-state channels and in atomic-state channels. The method is demonstrated for the example of low-energy inelastic Li + Na collisions for which the conventional application of the standard adiabatic Born-Oppenheimer approach fails and leads to paradoxes such as infinite inelastic cross sections.},
doi = {10.1103/PHYSREVA.82.060701},
url = {https://www.osti.gov/biblio/21528795}, journal = {Physical Review. A},
issn = {1050-2947},
number = 6,
volume = 82,
place = {United States},
year = {Wed Dec 15 00:00:00 EST 2010},
month = {Wed Dec 15 00:00:00 EST 2010}
}