论文标题
对电子对密度的相对论影响：径向内和外部概率密度的视角
Relativistic effects on electronic pair densities: a perspective from the radial intracule and extracule probability densities
论文作者
论文摘要
尽管已经广泛研究了相对性在电子密度中的影响，但对配对概率，内部和外部密度的影响尚未研究。因此，在这项工作中，我们推出了与相对论效应引起的电子结构变化有关的新见解。我们的数值结果表明，由于标量 - 相关效应，（大部分）平均电子间距离降低了。结果，观察到电子电子排斥能的增加。初步结果表明，当考虑电子相关效应时，此观察结果也有效。
While the effect of relativity in the electronic density has been widely studied, the effect on the pair probability, intracule, and extracule densities has not been studied before. Thus, in this work, we unveil new insights related to changes on the electronic structure caused by relativistic effects. Our numerical results suggest that the mean inter-electronic distance is reduced (mostly) due to scalar-relativistic effects. As a consequence, an increase of the electron-electron repulsion energy is observed. Preliminary results suggest that this observation is also valid when electronic correlation effects are considered.
