A New Approach to Calculating the Potential Energy of Interaction between Two Atoms
| Autor: | V. P. Koshcheev, Yu. N. Shtanov |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Physics Polynomial Physics and Astronomy (miscellaneous) Component (thermodynamics) Atomic form factor 01 natural sciences Potential energy symbols.namesake Pauli exclusion principle Fourier transform Quantum mechanics 0103 physical sciences symbols Rectangular potential barrier Electric potential 010306 general physics |
| Zdroj: | Technical Physics Letters. 44:566-569 |
| ISSN: | 1090-6533 1063-7850 |
| DOI: | 10.1134/s1063785018070088 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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