Abstract

The present work studies aspects of the electronic correlation in confined \(\hbox {H}^{-}\), He and \(\hbox {Li}^+\) atoms in their ground states using the informational entropies. In this way, different variational wavefunctions are employed in order of better take account of Coulomb correlation. The obtained values for the \(S_r\), \(S_p\) and \(S_t\) entropies are sensitive in relation to Coulomb correlation effects. In the strong confinement regime, the effects of the Coulomb correlation are negligible and the employment of the models of independent particle and two non-interacting electrons confined by a impenetrable spherical cage gains importance in this regime. Lastly, energy values are obtained in good agreement with the results available in the literature.

Graphic abstract

中文翻译：

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受限的类氦原子中的库仑相关性和信息熵

摘要

目前的工作使用信息熵研究处于基态的受限\(\hbox {H}^{-}\)、He 和\(\hbox {Li}^+\)原子的电子相关性。这样，为了更好地考虑库仑相关性，采用了不同的变分波函数。为\(S_r\)、\(S_p\)和\(S_t\)获得的值熵对库仑相关效应很敏感。在强限制状态下，库仑相关性的影响可以忽略不计，并且在这种情况下，使用独立粒子和由不可穿透的球形笼限制的两个非相互作用电子模型变得很重要。最后，获得的能量值与文献中可用的结果非常一致。

图形摘要