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Simulation of the Electronic Terms of Diatomic Molecules

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Abstract

In first-order perturbation theory, the correction to electronic terms (potential energy of interaction between atoms) in a diatomic molecule is calculated taking into account the Pauli principle. The condition for the applicability of the correction in first-order perturbation theory to the energy of the system in the unperturbed state is considered. The electronic terms for the diatomic molecule (dimer) HF and HNe are calculated in first-order perturbation theory. Satisfactory agreement with the experimental results is observed for a diatomic molecule.

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FUNDING

The study was supported by the Russian Foundation for Basic Research (project no. 20-07-00236 a).

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Authors and Affiliations

  1. Strela Branch, Moscow Aviation Institute (National Research University), 140180, Zhukovsky, Moscow oblast, Russia

    V. P. Koshcheev

  2. Surgut Branch, Tyumen Industrial University, 628404, Surgut, Russia

    Yu. N. Shtanov

Authors
  1. V. P. Koshcheev
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  2. Yu. N. Shtanov
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Corresponding authors

Correspondence to V. P. Koshcheev or Yu. N. Shtanov.

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The authors declare that they have no conflicts of interest.

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Koshcheev, V.P., Shtanov, Y.N. Simulation of the Electronic Terms of Diatomic Molecules. J. Surf. Investig. 16, 186–189 (2022). https://doi.org/10.1134/S1027451022010256

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  • DOI: https://doi.org/10.1134/S1027451022010256

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