势能
从头算
原子物理学
电子结构
能量(信号处理)
从头算量子化学方法
离子
分辨率(逻辑)
化学
计算化学
物理
量子力学
分子
计算机科学
人工智能
作者
D. L. Albritton,A. L. Schmeltekopf,Richard N. Zare
摘要
In recent years, high-resolution photoelectron spectroscopy and ab initio calculations have considerably revised and enlarged the understanding of the electronic structure of the NO+ ion. Based on these results, new potential energy curves for the electronic states of NO+ below 24 eV have been constructed and are given here. RKR potentials were calculated from new molecular constants for the eight experimentally well-defined states. For the other states, the main features of the potentials were estimated from theoretical calculations and from isoelectronic analogies. A brief review is given of the information on which each potential energy curve is based.
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