Wilson-Racah量子系统中氢原子和双原子分子的热性质和原子性质

D. A. Otor, V. T. Emmanuel, A. Gundu, B. V. Gurgur, S. E. Nyiyongo, D. S. Igba
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引用次数: 0

摘要

本文提出了一种不指定势函数,而是在能量和物理参数空间中指定四个参数Wilson-Racah正交多项式的常规量子力学。波函数被写成一个完整基的元素的有界和,这些多项式作为展开系数。通过找出Wilson - Racah多项式的渐近性,得到了相应系统的物理性质(波函数、束缚态能谱和/或散射相移)。应用Wilson - Racah量子系统测定了氢原子和双原子分子的热力学和原子性质。由相关正交多项式的渐近性直接而简单地得到了相关物理系统的所有性质。该模型能较好地近似预测氢原子能量,估计平均误差为0.125%。所提出的程序仅仅依赖于五个分子常数的实验值。热力学性质函数Q、U、C、S和F的平均相对百分比偏差分别为2.42、0.45、0.30、1.23和1.50%,符合实验结果。这是精度和快速计算之间令人满意的折衷。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Thermal and atomic properties of hydrogen atom and diatomic molecules in Wilson-Racah Quantum System
In this study, a conventional quantum mechanics in which the potential function is not specified but replaced by specifying four parameters Wilson-Racah orthogonal polynomials in the energy and physical parameter space was presented. The wave function is written as a bounded sum of elements of a complete basis with these polynomials as expansion coefficients. By finding the asymptotic of these Wilson – Racah polynomials, the physical properties of the corresponding system (wave function, bound state energy spectrum and/or scattering phase shift) was obtained. Wilson – Racah quantum system was applied to determine the thermodynamics and atomic properties of Hydrogen atom and diatomic molecules. All properties of associated physical systems are obtained directly and simply from the asymptotic of the associated orthogonal polynomials. This new model, gives good an approximate prediction of the Hydrogen atom energy with an estimated average error of 0.125%. The proposed procedure merely relies on experimental values of five molecular constants. The average relative percentage deviations of the thermodynamic properties’ functions Q, U, C, S and F which are 2.42, 0.45, 0.30, 1.23 and 1.50% satisfied the experimental finding as ascertained. These represent satisfactory compromise between accuracy and rapid computations.
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