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Theory and calculations of second-order anharmonic corrections to the radial distribution function of polyatomic molecules

  • Structure of Matter and Quantum Chemistry
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Abstract

A theory of the thermal averages of normal coordinates was suggested for polyatomic molecules. Second-order approximation equations were obtained on the basis of iterations of the Bloch integral equation. These equations can be used to calculate anharmonic corrections to the radial distribution function and the parameters that determine the intensity of fast electron scattering by molecules in gas-phase electron diffraction.

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Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, Leninskie gory, Moscow, 119992, Russia

    B. K. Novosadov, I. V. Kochikov & Yu. I. Tarasov

Authors
  1. B. K. Novosadov
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  2. I. V. Kochikov
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  3. Yu. I. Tarasov
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Additional information

Original Russian Text © B.K. Novosadov, I.V. Kochikov, Yu. I. Tarasov, 2006, published in Zhurnal Fizicheskoi Khimii, 2006, Vol. 80, No. 8, pp. 1457–1460.

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Novosadov, B.K., Kochikov, I.V. & Tarasov, Y.I. Theory and calculations of second-order anharmonic corrections to the radial distribution function of polyatomic molecules. Russ. J. Phys. Chem. 80, 1281–1284 (2006). https://doi.org/10.1134/S003602440608019X

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  • DOI: https://doi.org/10.1134/S003602440608019X

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