ab initio UNRESTRICTED-HARTREE-FOCK STUDIES OF MAGNETIC POLYMERS  

作　　者：李加波 唐敖庆 

机构地区：[1]Institute of Theoretical Chemistry, Jilin University, Changehun 130023, PRC Department of Chemistry Xiamen University Xiamen 361005 PRC [2]Institute of Theoretical Chemistry, Jilin University, Changehun 130023, PRC

出　　处：《Chinese Science Bulletin》1990年第21期1796-1800,共5页

基　　金：Project supported by the National Natural Science Foundation of China.

摘　　要：The calculation of the electronic structures of magnetic crystals by means of RHF band theory of closed shell systems is affected to a large extent by the correlation error. There is consequently a need for methods which go beyond the RHE approximation and take into account, at least partly, the correlation effects. A way to do so is the method using

关 键 词：UHFCO METHOD FERROMAGNETISM polymer. 

分 类 号：N[自然科学总论]