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This article is cited in 8 scientific papers (total in 8 papers)
A new approach to calculating the potential energy of interaction between two atoms
V. P. Koshcheeva, Yu. N. Shtanovb a Moscow Aviation Institute (National Research University), Strela Branch, Zhukovskii, Moscow oblast, Russia
b Tumen Industrial University, Surgut Branch, Surgut, Russia
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.
Received: 24.11.2017
Citation:
V. P. Koshcheev, Yu. N. Shtanov, “A new approach to calculating the potential energy of interaction between two atoms”, Pisma v Zhurnal Tekhnicheskoi Fiziki, 44:13 (2018), 28–35; Tech. Phys. Lett., 44:7 (2018), 566–569
Linking options:
https://www.mathnet.ru/eng/pjtf5760 https://www.mathnet.ru/eng/pjtf/v44/i13/p28
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Abstract page: | 36 | Full-text PDF : | 15 |
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