The HH1Sg state of the hydrogen molecule
The HH1Sg state of the hydrogen molecule
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氢分子的HH1Sg态
DOI：
10.1063/1.475521
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发表时间：
1998
期刊：
影响因子：
--
通讯作者：
L. Wolniewicz
中科院分区：
文献类型：
--
作者：
L. Wolniewicz
本文给出了氢分子HH_1 ~+态的Born-Oppenheimer势和绝热修正。外井中的项值是针对J105计算的。与实验比较表明，理论总能量低了约1 cm−1。这种差异的来源进行了简要讨论。
Born–Oppenheimer potential and adiabatic corrections for the HH1Σg+ state of the hydrogen molecule are given for internuclear distances up to 80 a.u. Term values in the outer well are computed for J⩽5. A comparison with experiment shows that the theoretical total energies are too low by about 1 cm−1. The source of this discrepancy is briefly discussed.