The low-lying electronic states of the diatomic dications BaO²⁺ and BaH²⁺ are investigated at a high level of theory. The potential energy curves constructed and the associated spectroscopic parameters provide a global and reliable characterization of these species attesting for their thermodynamic stability. The ground state (X3Σ^-) of BaO²⁺ is bound (D_e) by 13.11 kcal mol^-1, with an equilibrium distance of 5.526 a₀, and the harmonic constant (ω_e) equal to 175.1 cm^-1. The first excited state (A ³Π), lying higher by 3216 cm^-1, is also thermodynamic stable (D_e = 4.04 kcal mol^-1,ω_e = 123.7 cm^-1). Einstein spontaneous emission coefficients (A_v́v́́) were evaluated for all band systems, and lifetimes estimated. For the dication BaH²⁺, only the ground state (X²Σ⁺) is thermodynamic stable with D_e = 5.50 kcal mol^-1, R_e = 5.444 a₀, and ω_e = 409.4 cm^-1. New experimental results for the mass spectra of BaO²⁺ are also provided.

在较高的理论水平下研究了双原子指示剂BaO ²⁺和BaH ²⁺的低电子态。构造的势能曲线和相关的光谱参数为这些物质的整体和可靠表征提供了证明其热力学稳定性。基态（X3Σ ^- ）的BaO ²⁺结合（d _ë）由13.11千卡摩尔^-1，具有5.526一个平衡距离₀，和谐波常数（ω _ë）等于175.1厘米^-1。第一激发态（A ³ Π），躺在3216厘米更高^-1，也热力学稳定（d _Ë = 4.04千卡摩尔^-1，ω _Ë =123.7厘米^-1）。对所有频带系统都评估了爱因斯坦的自发发射系数（A _v́v́），并估算了寿命。对于二价阳离子BAH ²⁺，只有基态（X ² Σ ⁺）是与d热力学稳定_Ê = 5.50千卡摩尔^-1，R _Ë = 5.444一个₀，ω _Ë =409.4厘米^-1。还提供了BaO ²⁺质谱的新实验结果。