氟分子离子同位素^(18)F_2^+基态电子态的振动光谱常数和势能曲线的精确研究

Accurate Studies on the Vibrational Spectroscopic Constants and Potential Energy Curves for Ground State of ^(18)F_2^+

用建立的代数方法(algebraic method,AM)获得了18F2+-X2Πg电子态的精确振动光谱常数和完全振动能谱,并与其他理论方法获得的振动能级值进行了比较,发现由AM获得的该体系的振动光谱常数值,能够精确反映该体系从零点振动能到最高振动能级的全部振动激发态的真实振动信息;同时,根据用于获得双原子分子离子势能曲线的能量自洽法(energy consistent method for ion,ECMI),利用AM所获得的该体系的精确振动光谱常数值,获得了18F2+-X2Πg电子态正确的势能曲线.

The vibrational spectroscopic constants and the corresponding full vibrational energy spectra for X 2Π g state of 18F 2＋ are obtained bu using algebraic method（AM）,and they are compared with vibrational energies generated by other theoretical methods.The results show that the vibrational spectroscopic constants generated by AM can accurately reflect the vibrational performance of the whole vibrational excited energies from the zero-point energy to the highest vibrational energy of this system.Meanwhile,the correct potential energy curve of X 2Π g state of 18F 2＋ is acquired by means of vibrational v constants of this system obtained by AM,based on energy consistent method for ion（ECMI） which is applied to obtain potential energy curves of diatomic molecule ions.