METHODS FOR IMPROVING SPIN-DENSITIES OBTAINED FROM UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS

被引:6
作者
AMOS, AT
BECK, DR
COOPER, IL
机构
[1] UNIV NEWCASTLE UPON TYNE,SCH MED,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
[2] NATL HELLEN RES FDN,INST THEORET CHEM,ATHENS,GREECE
关键词
D O I
10.1016/0009-2614(78)80195-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:95 / 98
页数:4
相关论文
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