双原子离子的振动能谱与离解能研究

Studies on Vibrational Energies and Dissociation Energies of Diatomic ions

应用孙卫国等建立的AM方法和最新创建的精确计算双原子分子离解能的新解析表达式,对Li2+离子的X2Σg+电子态和CO+离子的X2Σ+电子态的完全振动能谱和离解能进行研究,获得了与实验结果符合得很好的理论结果。结果表明,AM方法和新解析式相结合的理论方法同样也适用于双原子离子体系。

A parameter-free analytical formula for dissociation energy of diatomic system is proposed recently by Sun et al. The new formula, which can be used together with algebraic method （AM） to calculate the accurate full vibration energy for diatomic molecules, is applied to study the dissociation energy and the full vibration spectra of the X^2∑ g^＋ state of Li^2＋ and the X^2∑^＋ state of CO^＋ diatomic ions. The results show that the AM vibration spectra and dissociation energy have excellent agreement with experimental values.