晶格畸变对KCl中FH（CN）^—的基态的影响

Influence of Crystal Lattic Distortion On the Ground State of F_H(CN)￣- in KCl

在单电子Ｈａｒｔｒｅｅ－Ｆｏｃｋ近似的基础上，采用扩展离子处理方法（ＳＬＣ），计算了晶格畸变对ＫＣｌ中ＦＨ（ＣＮ）＾－的基态能量及Ｆ心电子能量的影响。

On the basis of single electron Hartree-Fock approximation,the influence of crystal latticdistortion on the ground state energy and F-Center elevtron energy of P_H(CN)￣- in Kcl has beed stud-ied by using the SLC extended-ion method.