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Uses and abuses of the Langevin equation for chemical reactions in condensed phases

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Abstract

The Langevin and Fokker-Planck equations are useful in the description of many classical and quantum mechanical systems. However, these equations are justifiable from molecular considerations under very restricted conditions. These conditions include weak coupling, Brownian motion, and systems with special Hamiltonians. The application of these equations to chemical reactions in condensed phases is fraught with peril, particularly for fluid systems. We examine the molecular derivations of these equations and describe the conditions under which they are justifiable. It is, of course, possible that the equations are useful under other conditions.

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Authors and Affiliations

  1. Department of Chemistry, Massachusetts Institute of Technology, 02139, Cambridge, Massachusetts

    Irwin Oppenheim & Alex Orsky

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  1. Irwin Oppenheim
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  2. Alex Orsky
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Oppenheim, I., Orsky, A. Uses and abuses of the Langevin equation for chemical reactions in condensed phases. J Stat Phys 65, 859–872 (1991). https://doi.org/10.1007/BF01049586

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