钠原子微团簇Nan（n=2—5）的振动特性

采用距离相关的紧密结合模型，对Ｎａｎ（ｎ＝２－５）的振动特性进行了分析。通过求解Ｈｅｓｓｉａｎ矩阵和对距离相关的紧密结合分子动力学轨道所作的速度自关联函数的福里叶变换分析，得到了这些钠原子微团簇的振动频率。对Ｎａ２和Ｎａ３，这两种计算方法和实验，和从头计算法的计算结果一致，并对Ｎａ４和Ｎａ５的振动频率作了预言。

VIBRATIONAL PROPERTIES OF SODIUM MICROCLUSTERS Na n(n =2-5)

Based on the distance dependent tight-binding model, the vibrational properties for Na n (n =2-5) clusters are analysed. By diagonalization of the Hessian matrix and by using the Fourier transform of veolocity autocorrelation function from the trajectories of the distance dependent tight-binding molecular dynamics, the present claculations are successful in predicating some of the experimental infrared spectra and in agreement very well with and some other more sophisticated ab initio calculations for Na 2 and Na 3. We also predicate the eigenmodes for larger size clusters Na 4 and Na 5.