富勒笼中氢原子的香农熵和能:外加电场的影响

IF 3.8 Q2 CHEMISTRY, PHYSICAL
Brijender Dahiya , Bhavna Vidhani , Norberto Aquino , Vinod Prasad
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引用次数: 0

摘要

本研究使用两种势模型:方形阱(SW)和高斯势(GP),研究了被限制在富勒烯笼中的氢原子的能量和熵特性。考虑的富勒烯笼尺寸分别为C@36 (C36)和C@60 (C60)。影响能级和总香农熵的关键因素包括富勒烯笼半径、围势强度和笼壳宽度。此外,还详细分析了外加电场对这些特性的影响。值得注意的是,电场在各种状态下引入了避免交叉,而以前由于限制电位强度的变化仅在s状态下观察到。这项研究强调了围势强度、笼形宽度和电场引起的微扰之间复杂的相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Shannon entropy and energy of H-atom confined in fullerene cage: Effect of External electric field

Shannon entropy and energy of H-atom confined in fullerene cage: Effect of External electric field
This study examines the energy and entropic properties of a hydrogen atom confined within a fullerene cage, using two potential models: the Square Well (SW) and Gaussian Potential (GP). The fullerene cage sizes considered correspond to C@36 (C36) and C@60 (C60). Key factors influencing the energy levels and total Shannon entropy include the radius of the fullerene cage, the strength of the confining potential, and the shell width of the cage. Additionally, the impact of an external electric field on these properties is analysed in detail. Notably, the electric field introduces avoided crossings in various states, which were previously observed only in s-states due to variations in the confining potential strength. This study underscores the complex interplay between the confining potential strength, cage width, and perturbations induced by the electric field.
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来源期刊
Chemical Physics Impact
Chemical Physics Impact Materials Science-Materials Science (miscellaneous)
CiteScore
2.60
自引率
0.00%
发文量
65
审稿时长
46 days
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