Shannon熵:受限类氢原子的研究
Shannon entropy: a study of confined hydrogenic-like atoms
摘要:
以类氢原子$H_c$、${He_c}^+$和${Li_c}^{2+}$为例,给出了原子、分子和化学物理中的Shannon熵.提出了熵测不准关系和香农熵$S_r$和$S_p$的新表达式,以保证它们的物理无量纲特性。用变分法计算了类氢原子在不同限制半径下的电子基态能量和电子量$S_r$、$S_p$和$S_t$。分析了这些量和不同结构的全局行为。结果进行比较,当可用时,与以前公布的。
英文摘要:
The Shannon entropy in the atomic, molecular and chemical physics context is presented by using as test cases the hydrogenic-like atoms $H_c$, ${He_c}^+$ and ${Li_c}^{2+}$ confined by an impenetrable spherical box. Novel expressions for entropic uncertainty relation and Shannon entropies $S_r$ and $S_p$ are proposed to ensure their physical dimensionless characteristic. The electronic ground state energy and the quantities $S_r$, $S_p$ and $S_t$ are calculated for the hydrogenic-like atoms to different confinement radii by using a variational method. The global behavior of these quantities and different conjectures are analyzed. The results are compared, when available, with those previously published.
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