Potential Energy of Atom—Atom Interaction Taking Into Account the Pauli Principle.

Autor: Koshcheev, V. P., Shtanov, Yu. N.
Zdroj: Journal of Surface Investigation: X-Ray, Synchrotron & Neutron Techniques; Jul2020, Vol. 14 Issue 4, p841-845, 5p
Abstrakt: The potential energy of the atom–atom interaction, taking into account the Pauli principle, is constructed for atomic potentials that were chosen in the Molière approximation. It is shown that the potential energy of interaction between neon atoms and argon atoms lies above the experimental data, and that between krypton atoms and xenon atoms lies below the experimental data. It is shown that at large distances between xenon atoms the potential interaction energy satisfactorily agrees with the results of calculation by the density functional method, and at small distances between atoms the shielding function of the potential interaction energy lies below that of the Ziegler–Biersack—Littmark (ZBL) potential. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
Externí odkaz: