期刊
PHYSICS LETTERS A
卷 386, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.physleta.2020.126988
关键词
Hydrogen; Helium; Endohedral systems; Square well; Woods-Saxon; Gaussian model
资金
- CONACYT [FC-2016/2412]
In this study, the Shannon entropy and Fisher information of H, He, Li+, and Be2+ atoms confined by a C-60 cavity were investigated using numerical methods. The presence of the C-60 cavity was found to modify the electronic properties of the atoms, with significant effects on the ground- and excited-states of hydrogen and slight changes on the properties of two-electron atoms. The Gaussian model potential showed the largest impact on electronic properties due to the overlap with wave-functions.
In this work, we study the Shannon entropy and Fisher information of the H, He, Li+, and Be2+ atoms confined by a C-60 cavity. The fullerene cavity is described by three model potentials: the square well (SW), Woods-Saxon (WS), and the Gaussian model (GM). We solved the time-independent Schrodinger and Hartree-Fock equations by means of a numerical method. We find that the C-60 endohedral cavity modifies the ground- and excited-states of the hydrogen atom where the largest effect is given for the 2s state leading to an increase of similar to 2.5% of the Shannon entropy. The Fisher information results for the excited-states are highly sensitive to the presence of the C-60 cavity where the largest increase is reported for the 5s state with 50%. For the two-electron atoms, we find slight changes on the ground-state properties where the larger increase is for the Shannon entropy and Fisher information of the He atom in the ground-state. Our findings show that the GM potential leads to the largest change in electronic properties due to the overlap with the wave-functions. In the absence of the C-60 cavity, our findings are in excellent agreement with other theoretical results. (C) 2020 Elsevier B.V. All rights reserved.
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