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Non-adiabatic coupling as a frictional force in the formation of H3+: a model dynamical study

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Abstract

By treating the non-adiabatic coupling terms (NACTs) in a molecular system as equivalent to a frictional force, the classical equation of motion is solved for a test case of quasi-H3+ along the C2v axis and axes parallel to it, and it is shown that the singular NACTs between the first two excited electronic states slow down the relative motion of the three quasi-ions (H,H,H)+ while approaching each other.

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Authors and Affiliations

  1. School of Chemical Sciences, Indian Association for the Cultivation of Science, Kolkata, India

    Satyam Ravi, Soumya Mukherjee, Bijit Mukherjee & Satrajit Adhikari

  2. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, India

    Narayanasami Sathyamurthy

  3. The Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem, Israel

    Michael Baer

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  1. Satyam Ravi
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Correspondence to Narayanasami Sathyamurthy.

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Ravi, S., Mukherjee, S., Mukherjee, B. et al. Non-adiabatic coupling as a frictional force in the formation of H3+: a model dynamical study. Eur. Phys. J. D 74, 239 (2020). https://doi.org/10.1140/epjd/e2020-10152-2

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