本文将孙卫国等建立的精确计算双原子分子离解能的解析表达式作为分子振动能级正确收敛的重要物理判据,应用代数方法,进一步研究了重要的碱金属Li2的5个电子态的完全振动能谱和离解能,获得了这些电子态的精确振动光谱常数,同时也得到了包括接近分子离解极限在内的完全振动能谱和与实验值符合得很好的理论离解能.这些计算结果为许多需要这些电子态振动数据的研究领域提供了重要的研究数据.
Based on the algebraic method(AM) proposed to calculate accurate full vibrational energies for diatomic molecules in Sun's previous work,the parameter-free analytical formula for dissociation energy of diatomic system is used to study the dissociation energies and the full vibrational spectra of 5 electronic states of Li2 molecule in this work.The results show that the AM vibrational spectra and dissociation energies are in excellent agreement with experimental results.