This work describes the fully analytical method for the calculation of the molecular integrals over Slater-type orbitals with non-integer principal quantum numbers. These integrals are expressed through relativistic molecular auxiliary functions derived in our previous paper (Bağcı and Hoggan in Phys Rev E 91(2):023303, 2015). The procedure for computation of the molecular auxiliary functions is detailed. It applies both in relativistic and non-relativistic electronic structure theory. It is capable of yielding highly accurate molecular integrals for all ranges of orbital parameters and quantum numbers.

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相对论分子积分的分析评价：III。分子辅助功能的计算和结果

这项工作描述了一种完全解析的方法，用于计算具有非整数主量子数的Slater型轨道上的分子积分。这些积分通过我们先前论文中的相对论分子辅助函数表示（Bağcıand Hoggan in Phys Rev E 91（2）：023303，2015）。详细介绍了分子辅助功能的计算过程。它同时适用于相对论和非相对论电子结构理论。它能够为所有范围的轨道参数和量子数产生高度精确的分子积分。