We use the Baranger model to compute collisional broadening and shift rates for the D 1 and D 2 spectral lines of M + Ng, where M = K, Rb, Cs and Ng = He, Ne, Ar. Scattering matrix elements are calculated using the channel packet method, and non-adiabatic wavepacket dynamics are determined using the split-operator method together with a unitary transformation between adiabatic and diabatic representations. Scattering phase shift differences are weighted thermally and are integrated over temperatures ranging from 100 K to 800 K. We find that predicted broadening rates compare well with experiment, but shift rates are predicted poorly by this model because they are extremely sensitive to the near-asymptotic behavior of the potential energy surfaces.

中文翻译：

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碱金属原子与稀有气体原子碰撞的D 1和D 2谱线的展宽和位移系数的全量子计算

我们使用Baranger模型来计算M + Ng的D 1和D 2谱线的碰撞加宽和移动速率，其中M = K，Rb，Cs和Ng = He，Ne，Ar。使用通道包方法计算散射矩阵元素，并使用拆分算子方法以及绝热和绝热表示之间的统一变换来确定非绝热波包动力学。散射相移差异是热加权的，并且在100 K到800 K的温度范围内积分。我们发现预测的扩展速率与实验比较好，但是此模型对移位速率的预测很差，因为它们对近渐近性极为敏感势能表面的行为。