用能量自洽法研究碱金属双原子分子的势能曲线

STUDY ON THE POTENTIAL ENERGY CURVES OF ALKALI DIATOMIC MOLECULES WITH ENERGY CONSISTENT METHOD

用能量自洽法 (ECM )研究了碱金属双原子分子一些电子激发态的势能曲线 :Na2 分子的 2 1Πg,43Πg 和b3Πu电子激发态 ,K2 分子的a3Σ+u ,2 1Πg,B1Πu 和A1Σ+u 电子激发态 ,Cs2 分子的 11Πg 电子激发态 .所获得的势能曲线表明 ,ECM势能很好地符合Rydberg Klein Rees值或invertedperturbationapproach值 ,得到了比Morse势 ,Hux ley Murrell Sorbie(HMS)势更令人满意的结果 .进一步显示了ECM势能函数是比其他解析势能函数更为优越的势能函数 。

The studies on the potential energy curves of the electronic excited states 2 1Π g , 4 3Π g , b 3Π u of Na 2, the states a 3Σ + u , 2 1Π g , B 1Π u , A 1Σ + u of K\-2 and the state 1 1Π g of Cs\-2 molecules by using the energy consistent method (ECM) are reported here. The results show that the present ECM potentials agree very well with the known Rydberg Klein Rees data or the inverted perturbation approach data, and that they are much better than other analytical potentials such as the Morse and the Huxley Murrell Sorbie potentials for the electronic excited states of alkali diatomic molecules.