The lowest electronic states of boron monoiodide, BI, and its ions BI^± have been theoretically studied by the multireference configuration interaction technique employing basis sets of quadruple and quintuple-ζ quality. Scalar relativistic effects and spin-orbit coupling are taken into account as well. For all states we report potential energy curves, binding energies, and spectroscopic constants. Some quantities such as electron affinity, ionization potential, and dipole moment of BI are evaluated for the first time. The nature of the bonding in the systems under scrutiny is also discussed in some detail.

中文翻译：

---

准确从头地面和硼monoiodide，BI的一些低洼电子态的调查，其离子BI ⁺和BI ^- 。

通过多参考构型相互作用技术，采用四重和五重-ζ质量的基本集，对一碘化硼BI及其离子BI ^±的最低电子态进行了理论研究。还考虑了标量相对论效应和自旋轨道耦合。对于所有状态，我们报告势能曲线，结合能和光谱常数。首次评估了诸如BI的电子亲和力，电离势和偶极矩之类的量。还详细讨论了系统中的键合性质。