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Statement of quantum problems for “hot” molecules and solution of the Schrödinger equation for electron states in the field of distributed nuclear charges

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Abstract

The issue concerning the basics of statement of the problem of determining the energy levels and wave functions of the “hot” (vibrationally excited) molecule and the states of electrons in the field of spatially distributed nuclear charges has been considered. It has been shown that such a problem in which nonadiabaticity is taken into accounted in part from the very beginning can be reduced to the conventional problem by changing the AO type.

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Authors and Affiliations

  1. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, ul. Kosygina 19, Moscow, 119991, Russia

    L. A. Gribov & B. K. Novosadov

  2. Moscow State Building University, Yaroslavskoe sh. 26, Moscow, 129337, Russia

    N. I. Prokof’eva

Authors
  1. L. A. Gribov
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  2. B. K. Novosadov
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  3. N. I. Prokof’eva
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Corresponding author

Correspondence to L. A. Gribov.

Additional information

Original Russian Text © L.A. Gribov, B.K. Novosadov, N.I. Prokof’eva, 2013, published in Khimiya Vysokikh Energii, 2013, Vol. 47, No. 3, pp. 211–216.

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Gribov, L.A., Novosadov, B.K. & Prokof’eva, N.I. Statement of quantum problems for “hot” molecules and solution of the Schrödinger equation for electron states in the field of distributed nuclear charges. High Energy Chem 47, 115–119 (2013). https://doi.org/10.1134/S0018143913030041

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  • DOI: https://doi.org/10.1134/S0018143913030041

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