摘要
利用扩展休克尔方法，采用自包容子程序，计算了ＮａＣｌ晶体的能带结构，并与实验数据及其它理论计算结果进行了比较，所得结果与实验数据符合得较好．
By the extended Hückle method and the selfcontained subroution,the author calculated the energy band structure of NaCl crystal.Compared with experimental data and some theorical findings the calculated results accord well with experimental data.
出处
《西北师范大学学报（自然科学版）》
CAS
1998年第3期18-21,共4页
Journal of Northwest Normal University(Natural Science)
基金
国家自然科学基金
