用MS－x_α方法研究（CrO_6）^（10－）的电子能级

A STUDY OF THE ELECTRONIC ENERGY LEVEL OF(CrO_6)￣(10-)WITH THE MS_(-xα)METHOD

采用自旋极化ＭＳ－ｘ＿α方法，计算了铬离子（ＣｒＯ＿６）￣（１０－）的电子结构，给出了单电子本征值，本征函数．并用过渡态理论确定了基态组态，计算了部分光学跃迁和电荷转移跃迁的能量．

With The spin unrestricted MS X_α。method the paper calculates the electronic struc-ture of the complexion (CrO_6) and abtains the one elecatron eigenvalues and eigenfunctions. Based onthe transition state theory, it also determines the ground states and calculates the energy of some optical andcharge transfer transitions.