【摘要】 基于代数方法(algebraic method)可以获得双原子分子的包含最高振动能级在内的所有高阶振动能级的精确数值这一事实,又提出了一种新的代数方法(algebraic method 2)来精确研究双原子分子电子态的振转能谱和转动常数.以HF分子的B1Σ电子态为例,应用algebraic method 2方法研究了该电子态的振动量子数从ν=0到ν=10的所有振转能谱,获得了与实验值符合得非常好的理论结果.更多还原

【Abstract】 Based on the algebraic method (AM) presented in our previous study,a new algebraic approach (AM2) is suggested to evaluate accurate rovibrational energies and corresponding rotational constants using known experimental data of rovibrational energies of limited accuracy of a given rovibrational band for a diatomic electronic state. The results of reseach on rovibrational energies of the B1Σ electronic state of HF molecule shows that Algebraic Method 2 gives rovibrational energies in excellent agreement with experimental data,and the method generates reliable energies of high-lying rovibrational excited states which may be difficult to obtain experimentally or theoretically.更多还原