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首页> 外文期刊>International Journal of Quantum Chemistry >Extension of the Molecular Quantum Defect Orbital Methodology to the Calculation of Intensities and Lifetimes for Vibronic Transitions within Electronic Rydberg Series of NO
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Extension of the Molecular Quantum Defect Orbital Methodology to the Calculation of Intensities and Lifetimes for Vibronic Transitions within Electronic Rydberg Series of NO

机译:分子量子缺陷轨道方法论的扩展到电子里德堡级数中NO的电子跃迁强度和寿命的计算

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摘要

Expressions relating explicitly the radiative lifetimes of vibronic states to the electronic transition moment and the absorption oscillator strengths for spin-allowed transitions have been developed for the first time within the molecular quantum defect orbital(MQDO)methodology.Application to the intensities of the gamma(A~2DELTA~+ <-X~2II),sigma(D~2DELTA~+ <-X~2R),and(D~2DELTA~+ <-A~2DELTA~+)bands of NO,which are known to be of relevance in atmospheric studies,has been made.The MQDO results are in excellent accord with the measurements available in the literature.
机译:首次在分子量子缺陷轨道(MQDO)方法中开发了将振动态的辐射寿命与电子跃迁矩和自旋跃迁跃迁的吸收振荡器强度明确相关的表达式。 NO的A〜2DELTA〜+ <-X〜2II),sigma(D〜2DELTA〜+ <-X〜2R)和(D〜2DELTA〜+ <-A〜2DELTA +)带MQDO的结果与文献中的测量非常吻合。

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