Using ab initio configuration interaction methodologies, we compute the potentials of the doubly and triply charged vanadium nitride. By performing benchmark calculations, we show that the 4s and 3d AOs are enough for the accurate description of VN multiple ionizations. In VN²⁺, several deep potential wells are located below the lowest dissociation limit. Within these potential wells, long-lived rovibational levels may be found. Specifically, we find an unconventional shape for the ground state potential of VN²⁺ that differs from the volcanic form typical of dications. For VN³⁺, four shallow potential wells were characterized that may support rovibrational levels, where metastable VN³⁺ can be found. Accordingly, we confirm the existence of VN²⁺ and VN³⁺ species in the gas phase as already noticed experimentally. For the bound states, we provide a set of accurate spectroscopic parameters. Double and triple ionization energies of VN are computed to be 23.56 and 51.05 eV, respectively.

使用从头开始的配置相互作用方法，我们计算了双电荷和三电荷氮化钒的电势。通过执行基准计算，我们表明4s和3d AO足以准确描述VN多个电离。在VN ^2+中，几个深势阱位于最低解离极限以下。在这些潜在的井中，可能会发现长期的漂移水平。具体来说，我们发现VN ²⁺的基态电位具有非常规的形状，不同于常规的火山形式。对于VN ³⁺，表征了四个浅势阱，可以支持旋转水平，其中亚稳态VN ³⁺可以被找寻到。因此，正如实验已经注意到的，我们证实了气相中存在VN ²⁺和VN ³⁺物种。对于束缚态，我们提供了一组准确的光谱参数。VN的双电离和三电离能分别计算为23.56和51.05 eV。