State of the Helium Atom Inside a Fullerene

The problem of motion of the helium atom inside the fullerene molecule at ultralow temperatures is considered. The solution of the Schrödinger equation is obtained by numerical methods using special functions. The potential energy of interaction of the fullerene particle with the helium atom is calc...

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Veröffentlicht in:Russian physics journal 2022-05, Vol.65 (1), p.169-178
Hauptverfasser: Poteryaeva, V. A., Bubenchikov, M. A., Bubenchikov, A. M., Potekaev, A. I., Kaparulin, D. S.
Format: Artikel
Sprache:eng
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Zusammenfassung:The problem of motion of the helium atom inside the fullerene molecule at ultralow temperatures is considered. The solution of the Schrödinger equation is obtained by numerical methods using special functions. The potential energy of interaction of the fullerene particle with the helium atom is calculated by integrating the modified Lennard–Jones potential over the idealized surface of the hollow nanoparticle. As a result of calculations, zones of the most probable localization of the atomic particle in the states with (n, m, and k n ) inside the C 60 fullerene were determined and visualized.
ISSN:1064-8887
1573-9228
DOI:10.1007/s11182-022-02619-z