双原子分子振动能谱与离解能的精确研究

代数方法(AM)的建立解决了实验方法和精确量子力学理论方法难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问题.基于LeRoy与Bernstein的工作,孙卫国等又建立了精确计算双原子分子离解能的新解析表达式.应用新公式和代数方法(AM),研究了一些双原子分子部分电子态的振动能谱和分子离解能,获得了与实验值符合非常好的理论结果.该方法在理论上提供了获得双原子分子完全振动能谱和精确分子离解能的物理新方法.

Accurate studies on vibrational energies and dissociation energies of diatomic molecules

Based on LeRoy and Bernstein's vibrational energy expression near dissociation limit,a parameter-free analytical formula for dissociation energies of diatomic molecules is suggested recently by Weiguo Sun et al.Using the algebraic method(AM) presented in our previous study,the new formula is applied to study the molecular dissociation energies of some electronic states.The results show that AM dissociation energies have excellent agreement with experimental dissociation data,and thereby providing a new physical approach to generate accurate vibrational energies and dissociation energies for electronic states of diatomic molecules.