A New Approach to Calculating the Potential Energy of Interaction between Two Atoms

被引:0
|
作者
V. P. Koshcheev
Yu. N. Shtanov
机构
[1] Moscow Aviation Institute (National Research University),
[2] Strela Branch,undefined
[3] Tumen Industrial University,undefined
[4] Surgut Branch,undefined
来源
Technical Physics Letters | 2018年 / 44卷
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摘要
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.
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页码:566 / 569
页数:3
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