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Hypergeometric resummation approach to dissociation and Stark effect in non-rigid dipolar molecules
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.5 ) Pub Date : 2020-07-02 , DOI: 10.1088/1361-6455/ab999b
Thomas Garm Pedersen

In a strong electric field, a dipolar molecule will contract or expand and, in extreme cases, dissociate. Considering a two-atomic non-rigid dipole described by the realistic Kratzer model, we compute analytical energy corrections up to fourth order in the field strength for general states and ninth order for the ground state. The fourth-order series is subsequently ‘resummed’ using the hypergeometric approach (Mera et al 2015 Phys. Rev. Lett. 115 143001). We benchmark the approach against numerical complex scaling results and demonstrate that the resummed series is highly accurate in a wide range of field strengths and, importantly, correctly reproduces the dissociation rate. Finally, Stark shift and dissociation rate are calculated for LiH + as a practical application of the theory.

中文翻译:

超几何恢复方法用于非刚性偶极分子的解离和斯塔克效应

在强电场中,偶极分子会收缩或膨胀,在极端情况下会解离。考虑到现实的Kratzer模型描述的两个原子的非刚性偶极子,我们计算出在一般状态下的场强到基态的九次到四阶的分析能量校正。随后使用超几何方法“恢复”四阶序列(Mera等人,2015,Phys。Rev. Lett。115 143001)。我们针对数值复杂标度结果对方法进行了基准测试,并证明了恢复后的序列在很宽的场强范围内都是高度准确的,而且重要的是正确再现了解离速率。最后,计算了LiH +的斯塔克位移和解离速率,作为该理论的实际应用。
更新日期:2020-07-03
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