Email this article A New Approach to Calculating the Potential Energy of Interaction between Two Atoms
- Authors: Koshcheev V.P.1, Shtanov Y.N.2
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Affiliations:
- Moscow Aviation Institute (National Research University), Strela Branch
- Tumen Industrial University, Surgut Branch
- Issue: Vol 44, No 7 (2018)
- Pages: 566-569
- Section: Article
- URL: https://journals.rcsi.science/1063-7850/article/view/207771
- DOI: https://doi.org/10.1134/S1063785018070088
- ID: 207771
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Abstract
A Fourier component of the potential energy of interaction between two atoms has been presented as a polynomial of the biquadratic atomic form factor. A numerical calculation has been performed in the screened Coulomb potential approximation. It is demonstrated that the account for the Pauli principle leads to the occurrence of a potential barrier and an additional region of attraction of two atoms. This model is shown to agree qualitatively with the results of the density-functional-theory calculation.
About the authors
V. P. Koshcheev
Moscow Aviation Institute (National Research University), Strela Branch
Author for correspondence.
Email: koshcheev1@yandex.ru
Russian Federation, Zhukovskii, Moscow oblast, 140181
Yu. N. Shtanov
Tumen Industrial University, Surgut Branch
Email: koshcheev1@yandex.ru
Russian Federation, Surgut, 628404
