Studies on Rovibrational Energies of the Ground State of the HF Molecule
Studies on Rovibrational Energies of the Ground State of the HF Molecule
复制标题
HF分子基态旋转振动能的研究
作者：
本文提出了一种新的代数方法，称为AMR，它基于Sun以前研究双原子体系的全振动能和离解能所提出的代数方法(AM)来计算精确的转动能和常数。本文利用已知给定振动带有限精确的实验振动能，用AMR方法研究了HF分子基态电子态的振动能。结果表明，AMR振动能与实验数据吻合很好，该方法为高位振动激发态产生了可靠的能量，这可能是通过实验或理论难以获得的。
A new algebraic approach, referred to as AMr, is suggested to evaluate accurate rovibrational energies and constants based on the algebraic method (AM) presented in Sun's previous study for full vibrational energies and the dissociation energy of a diatomic system. Using known limited accurate experimental rovibrational energies of a given vibrational band, the AMr is applied to study the rovibrational energies of the ground electronic state of the HF molecule in this work. The results show that the AMr rovibrational energies have excellent agreement with the experimental data, and the method has generated reliable energies for the high-lying rovibrational excited states, which may be difficult to obtain experimentally or theoretically.
DOI：
10.1021/j150403a025
发表时间：
1940-07
期刊：
The Journal of Physical Chemistry
影响因子：
--
作者：
G. Herzberg
通讯作者：
G. Herzberg