摘要
对大多数双原子分子电子态的高阶振动能谱,现代实验方法和量子力学理论计算都难以得到较精确的振动能级.文中应用基于二阶微扰理论的代数方法(AM)以及计算双原子分子离解能的新表达式研究了碱金属双原子分子Li2的33Σg+,13Δg和23Πg,Na2的B1Πu以及K2的41Σg+电子态的完全振动能谱{EAυM}和离解能,理论计算结果不仅与已有的实验值相符,而且还给出了实验尚未得到的高阶振动能级.这些结果为碱金属双原子分子精确振动能谱和离解能的科学研究提供了重要数据.
It is difficult to obtain the accurate high-lying vibrational energies for most of the diatomic electronic states on modern experiments or theoretical computations based on quantum mechanics. Based on the new analytical formula for dissociation energy and algebraic method （AM） generated by Sun et al. ,the second order perturbation theory are used to study the full vibritional energies {EAυ M} and dissociation energies of the Li2-33Σ g＋ ,Li2-13g,Li2-23Πg,Na2-B1Πu and K2- 41Σ g＋ electronic states. The obtained results not only agree well with the experimental data for the low-lying vibrational energies,but also give all high-lying vibrational energies which are still difficult to obtain by experiment at present. These results supply necessary data for the studies which need high-lying vibrational energies and dissociation energies of diatomic alkali-metal molecule.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2011年第2期218-229,共12页
Acta Physica Sinica
基金
四川省科技厅基金(批准号:2009JY0140)资助的课题~~
关键词
碱金属分子
高阶振动能级
离解能
代数方法
alkali-metal molecule
high-lying vibrational energies
dissociation energy
algebraic method
