Rovibrational states of H+ 3. Part 2: The energy region between 9000 cm−1 and 13000 cm−1 including empirical corrections for the non-adiabatic effects
Rovibrational states of H+ 3. Part 2: The energy region between 9000 cm−1 and 13000 cm−1 including empirical corrections for the non-adiabatic effects
复制标题
H+ 的旋转振动态 3. 第 2 部分：9000 cm−1 和 13000 cm−1 之间的能量区域，包括非绝热效应的经验修正
DOI：
10.1080/00268970210158713
复制
发表时间：
2003
影响因子：
1.7
通讯作者：
J. Hinze
中科院分区：
文献类型：
--
作者：
P. Schiffels;A. Alijah;J. Hinze
本系列的第一部分重点讨论了9000 cm-1以下能区H+ 3振转态的计算，其中大部分实验确定和指定的项值都位于该区域。在该研究中获得并检验了理论上合理的非绝热耦合修正的经验修正，并将其扩展应用于计算H+ 3的振转态，直到13000 cm−1的项值，这超过了线性障碍。特别是，预测的5V-2波段，这是目前的实验研究的主题，希望有助于我们的结果中观察到的谱线的分配。
The first part of this series focused on the calculation of the rovibrational states of H+ 3 in the energy region below 9000 cm−1, where most of the experimentally determined and assigned term values are located. The theoretically justified empirical correction for the non-adiabatic coupling corrections, which was obtained and tested in that study is extended and applied here in the calculation of the rovibrational states of H+ 3 to term values up to 13000 cm−1, which is above the barrier to linearity. In particular, predictions are made for the 5v 2 bands, which are the subject of current experimental investigations, hopefully aiding with our results in the assignment of the spectral lines observed.