Potential energy curves of (HeNe)2+. Electronic couplings and transition dipole moment calculations
Potential energy curves of (HeNe)2+. Electronic couplings and transition dipole moment calculations
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DOI：
10.1088/0022-3700/18/17/019
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发表时间：
1985-09
期刊：
影响因子：
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通讯作者：
E. Mercier;G. Chambaud;B. Lévy
中科院分区：
文献类型：
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作者：
E. Mercier;G. Chambaud;B. Lévy
测定了分子体系(HeNE)2+的基态和某些低激发态的绝热和准绝热势能曲线。在1Sigma+态的研究中，推广了Levy的绝热方法。本文计算的势能曲线和电子耦合对于分析碰撞过程，特别是Ne~(2+)+He到Ne~++He+的电荷转移反应是有用的。还计算了本研究所需的爱因斯坦系数Ai，j。
The authors present the determination of adiabatic and quasiadiabatic potential energy curves of the ground state and of some low-lying excited states of the molecular system (HeNe)2+. An extension of Levy's method for disadiabatisation is developed in the study of the 1 Sigma + states. The potential curves and the electronic couplings calculated in this work are useful for the analysis of collisional processes, in particular for the charge transfer reaction Ne2++He to Ne++He+. The Einstein coefficients Ai,j needed for this study have also been calculated.