摘要
利用代数方法(Algebraic Method,AM),首次获得了HF-X1∑+和HF+-X2Π电子态的精确振动光谱常数和完全振动能谱,并基于体系精确的AM完全振动能谱,首次获得了这两个体系精确的全程Rydberg-Klein-Rees(RKR)势能曲线.研究结果表明:由部分精确的实验振动能级子集合,可用AM产生体系的精确振动光谱常数和包含最高振动能级在内的完全振动能谱,由此拟合出的全程RKR势能曲线有效的解决了大多数经验解析势难以描述体系重要的渐近区和离解区的势能行为这一问题.
The vibrational spectroscopic constants and the corresponding full vibrational energy spectra for X^1 ∑^＋ state of HF and X^2Ⅱ state of HF＋ are first obtained using algebraic method（AM）. Furthermore, the accurate full Rydberg-Klein-Rees（RKR）potential energy curves of these two electronic states are also acquired for the first time based on the AM spectra. The results show that AM can accurately give vibrational spectro- scopic constants and full vibrational energy spectra involving the highest-lying vibrational energy from accurate experimental vibrational energy subsets, as thus, the full RKR potentials generated by the AM spectra are superior to most empirical analytical potentials in describing the performance of the important asymptotic and dissociation region of the systems.
出处
《四川大学学报（自然科学版）》
CAS
CSCD
北大核心
2008年第4期864-868,共5页
Journal of Sichuan University(Natural Science Edition)
基金
国家自然科学基金(10474068)
乐山师范学院科研项目(206114)
关键词
双原子分子
振动能谱
代数方法
势能曲线
diatomic molecule, vibrational energy spectrum, algebraic method, potential energy curve
