论文标题

HCl,DCL和TCL双原子分子处于其基态:预测出生的脑旋转光谱

HCl, DCl and TCl diatomic molecules in their ground state: predicting Born-Oppenheimer rovibrational spectra

论文作者

Olivares-Pilón, Horacio, Turbiner, Alexander V.

论文摘要

分子状态的分析型(B-O)电势曲线的基态$ x^1σ^+$的分子(H,h,d,t)Cl是为整个核内距离$ r \ in [0,\ infty)$的整个范围而构建的,与RKR潜在的curifore curnive verifient corifience corifore cur的准确性相比,该图的精确度的精度为3-5个图形。在能量中的精度为3-4个重要数字,HCl(DCL,TCL)的836(1625,2366)B-O ROVIBRATICATY BOND BONDEND状态具有最大振动数$ν_{max} = 20 \ 20 \,(29,35)$和最大动量$ l_ $ l_ $ l_ ^ 64,(29,35) (46,63)具有能量$ \ Lessim 10^{ - 4} $ HARTREE的弱结合状态(接近离解限)。指示现有的实验数据不足,并针对所有HCL,DCL,TCL分子进行了大部分缺失的旋转状态的预测。

The analytic Born-Oppenheimer (B-O) potential curve for the ground state $X^1Σ^+$ of the molecule (H,D,T)Cl is constructed for the whole range of internuclear distances $R \in [0,\infty)$ with an accuracy of 3-5 figures in comparison with the RKR-style potential curve derived from available experimental data on vibrational energies. With an accuracy of 3-4 significant figures in the energies, it is predicted for HCl (DCl, TCl) the 836 (1625, 2366) B-O rovibrational bound states with maximal vibrational number $ν_{max} = 20\, (29, 35)$ and maximal angular momentum $L_{max} = 64\, (90, 109)$ including 24 (46, 63) weakly-bound states (close to the dissociation limit) with energies $\lesssim 10^{-4}$ Hartree. Insufficiency of existing experimental data is indicated and a prediction of the bulk of missing rovibrational states is made for all HCl, DCl, TCl molecules.

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