中文摘要：

使用作者最近建立的研究双原子分子离子精确势能的离子能量自洽法（ECMI），对碱金属、氟、氧的同核双原子分子离子的以下电子态进行了研究：Na2^＋的X^2∑g^＋态．Li2^＋的X^2Ⅱu态，F2^＋的A^2Пu态，F2^＋的X^2Пg，和O2^＋的A^2Пu态．将获得的ECMI势能曲线与用其他理论方法得到的势能曲线进行的比较表明．ECMI得到了这些态的最好势能。而且ECMI势不仅能获得平衡核间距附近的精确势能．还能得到其他方法往往难以得到的双原子分子离子渐进区和离解区的正确势能．

英文摘要：

An energy comsistent method for ions （ECMI） which is proposed recently is applied to study the potential energy curves of several electronic states of some homonuclear diatomic molecular ions： O2^＋ -A^2Пu, state, Na2^＋-X^2∑g^＋ state, Li2^＋-X^2Пu state, and F2^＋-X^2Пg state and A^2Пu state. Studies show that the ECMI method produces most accurate potentials for these ionic states, and that the ECMI not only obtain accurate potentials near equilibrium internuclear distance, but also generate correct potential data in the ionic asymptotic and dissociation region where other methods may fail or may give less accurate results.