搜索

x
中国物理学会期刊

    BH分子8个Λ-S态和23个Ω态光谱性质的理论研究

    Theoretical study on spectroscopic properties of 8 Λ-S and 23 Ω states for BH molecule

    CSTR: 32037.14.aps.71.20220038
    PDF
    HTML
    导出引用
    • 本文利用内收缩多参考组态相互作用方法计算了BH分子8个低电子态(X 1Σ +, a 3Π, A 1Π, b 3Σ , 2 3Π, 1 3Σ +, 1 5Σ 和1 5Π)和在自旋-轨道耦合效应下所产生的23个Ω态的势能曲线、以及 \rmX^1\Sigma _0^ + ^ + , \rma^3\Pi _0^ + , \rma^3\Pi _1 , \rma^3\Pi _2 \rmA^1\Pi _1 态之间6对跃迁的跃迁偶极矩. 为了获得精确的势能曲线, 计算中修正了单双电子激发、核价相关效应、相对论效应和基组截断带来的误差. 获得的BH分子的光谱和跃迁数据与现有的理论值和实验值符合得很好. 计算结果表明: BH分子的A 1Π 1( υ'= 0 – 2, J'= 1, +) → \textX^1\Sigma _0^ + ^ + ( υ′′ = 0 – 2, J′′ = 1, –)跃迁具有较大的爱因斯坦 A系数和加权的吸收振子强度、高度对角化分布的振动分支比, A 1Π 1态具有较短的辐射寿命. 另外, \rma^3\Pi _0^ + 和a 3Π 1态对A 1Π 1( υ'= 0) ↔ \rm X^1\Sigma _0^ + ^ + ( υ′′ = 0)循环跃迁的影响可以忽略. 因此, 基于A 1Π 1( υ'= 0—1, J′ = 1, +) ↔ \rm X^1\Sigma _0^ + ^ + ( υ′′ = 0—3, J′′= 1, –)循环跃迁, 我们提出了用一束主冷却激光( λ 00= 432.45 nm)和两束再泵浦激光( λ 10= 479.67 nm和 λ 21= 481.40 nm)冷却BH分子的方案, 并评价了冷却效果.

      In this work, the potential energy curves of eight low electronic states (X 1Σ +, a 3Π, A 1Π, b 3Σ -, 2 3Π, 1 3Σ +, 1 5Σ -, and 1 5Π) and twenty-three Ω states of BH molecule, and the transition dipole moments among the \textX^\text1\Sigma_\text0^ + ^ + , \texta^\text3\Pi_\text0^ + , a 3Π 1, a 3Π 2, and A 1Π 1states are calculated by using the internally contracted multireference configuration interaction (icMRCI) method. In order to obtain the accurate potential energy curve, the errors caused by single and double electron excitation, core-valence correlation effects, relativistic effects and basis set truncation are corrected. The spectral and transition data of BH molecule are in good agreement with the available theoretical and experimental data. The calculation results show that the A 1Π 1( υ′= 0-2, J′= 1, +) → \textX^\text1\Sigma_\text0^ + ^ + ( υ′′= 0-2, J′′= 1, –) transition has large Einstein A-coefficient, weighted absorption oscillator strength, and highly diagonal vibrational branching ratio R υ′υ′′, and the excited state A 1Π 1( υ′= 0, 1) have short spontaneous radiation lifetimes. Moreover, the effects of \texta^\text3\Pi_\text0^ + and a 3Π 1states on A 1Π 1( υ′= 0) ↔ \textX^\text1\Sigma_\text0^ + ^ + ( υ′′= 0) cycle transition can be ignored. Therefore, according to the A 1Π 1( υ′ = 0-1, J′= 1, +) ↔ \textX^\text1\Sigma_\text0^ + ^ + ( υ′′ = 0-3, J′′ = 1, –) cycle transition, we propose to apply one main cooling laser ( λ 00= 432.45 nm) and two repumping lasers ( λ 10= 479.67 nm and λ 21= 481.40 nm) to laser cooling BH molecules, and evaluation of the cooling effect.

      目录

      /

        返回文章
        返回
          Baidu
          map