HCl 和 LiH 双原子分子的能谱、期望值和热力学性质

Q3 Engineering
E. Inyang
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引用次数: 0

摘要

通过对 Hulthén 加筛选 Kratzer 势应用 Nikiforov-Uvarov 函数分析法来求解薛定谔方程。采用格林-奥尔德里奇近似法确定了能量方程和波函数的闭式表达式。利用赫尔曼-费曼定理计算了 HCl 和 LiH 双原子分子的能谱和各种量子态的期望值。随后,我们利用之前推导出的能量方程计算出分配函数,进而确定了与二原子分子相关的热力学性质。我们计算了 2H 和 LiH 双原子分子在不同温度下的分配函数。结果表明,这两种二原子分子的分配函数随着温度的升高而升高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
ENERGY SPECTRA, EXPECTATION VALUES, AND THERMODYNAMICPROPERTIES OF HCl AND LiH DIATOMIC MOLECULES
The Schrödinger equation is solved by applying the Nikiforov-Uvarov-Functional Analysis method to the Hulthén plus screened Kratzer Potential. The Greene-Aldrich approximation is employed to determine the closed form expressions for the energy equation and the wave function. The Hellmann-Feynman theorem was employed to calculate the energy spectra and expectation values of various quantum states for diatomic moleculesof HCl and LiH. Subsequently, we employed the energy equation that we had previously derived to compute the partition function, which in turn enabled us to determine the thermodynamic properties associated with the diatomic molecules. The partition function for the diatomic molecules of 2Hand LiHwas calculated at different temperatures. The results indicate that the partition function of the two diatomic molecules rose as the temperature increased.The findings we obtained align with the results documented in the literature.
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CiteScore
1.10
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15
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