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首页> 外文期刊>Journal of Physics, B. Atomic, Molecular and Optical Physics: An Institute of Physics Journal >Vibronic effects on the low-lying electronic excitations in N_2O induced by electron impact
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Vibronic effects on the low-lying electronic excitations in N_2O induced by electron impact

机译:振动对电子撞击在N_2O中低层电子激发的影响

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摘要

We report a theoretical study on the valence-shell electronic excitations of N_2O induced by electron impact. Momentum transfer–dependent generalized oscillator strengths (GOSs) or GOS profiles have been calculated for the low-lying electronic excitations using theoretical wave functions at the equation-of-motion coupled-cluster singles and doubles level. In the calculation, Herzberg–Teller vibronic effects are taken into account. The computed results are in overall agreement with experimental GOS profiles reported in the literature and reveal prominent roles of the bending vibration of N_2O in the B~1Δ and C~1Π transitions.
机译:我们报告了由电子撞击引起的N_2O的价壳电子激发的理论研究。在运动方程耦合簇的单声和双声水平下,使用理论波函数为低层电子激励计算了依赖于动量传递的广义振荡器强度(GOSs)或GOS轮廓。在计算中,考虑了Herzberg-Teller振动效应。计算结果与文献报道的GOS曲线完全吻合,揭示了N_2O弯曲振动在B〜1Δ和C〜1Π跃迁中的突出作用。

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