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Computed lifetimes of metastable states of CO~(2+)

机译:CO〜(2+)亚稳态计算寿命

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摘要

Highly correlated icMRCI wavefunctions are used to calculate the potential energy curves (PEC's) and spin-orbit coupling (SOC) matrix elements for the lowest electronic states of the CO~(2+) dication. The results are employed in calculations of the spectro-scopic constants and the spin-orbit induced predissociation lifetimes using the stabilization method. The computed lifetimes are in good agreement with experimental lifetimes reported previously.
机译:高度相关的icMRCI波函数用于计算CO〜(2+)指示的最低电子状态的势能曲线(PEC)和自旋轨道耦合(SOC)矩阵元素。将结果用于使用稳定化方法计算光谱常数和自旋轨道引起的预离解寿命。计算的寿命与先前报道的实验寿命非常吻合。

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