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Post-adiabatic approach to atomic and molecular processes: The van der Waals interactions of some open shell systems

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Summary

Various properties of post-adiabatic representations of multichannel Schrödinger equations are described in the general context of adiabatic and classical path approximations as used in atomic and molecular physics. The van der Waals interactions of fluorine, chlorine, and oxygen atoms with rare gases, hydrogen, methane, and hydrogen halides are considered: it is found that in some of these systems, the first-order post-adiabatic scheme exhibits a smaller coupling than the adiabatic representation, thus providing an appropriate choice of the basis functions for a decoupling approximation.

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Authors and Affiliations

  1. Dipartimento di Chimica dell'Universita, I-06100, Perugia, Italy

    Vincenzo Aquilanti & Simonetta Cavalli

  2. Institute of Energy Problems of Chemical Physics, 117829, Moscow, Russia

    Lev Yu. Rusin & Mikhail B. Sevryuk

Authors
  1. Vincenzo Aquilanti
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  2. Simonetta Cavalli
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  3. Lev Yu. Rusin
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  4. Mikhail B. Sevryuk
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Aquilanti, V., Cavalli, S., Rusin, L.Y. et al. Post-adiabatic approach to atomic and molecular processes: The van der Waals interactions of some open shell systems. Theoret. Chim. Acta 90, 225–256 (1995). https://doi.org/10.1007/BF01113470

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  • DOI: https://doi.org/10.1007/BF01113470

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