Intra- and interpair electron correlation --Analysis of the G1 and G2 theories  

作　　者：居冠之 韦兆荣 

机构地区：[1]Department of Chemistry, Coordination Chemistry Institute, Nanjing University, Nanjing 210093, China [2]Department of Mathematics, Nanjing University, Nanjing 210093, China

出　　处：《Science China Chemistry》1996年第5期546-552,共7页中国科学（化学英文版）

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

摘　　要：The irrationality of the HLC correction in the G1 and G2 theories has been analyzed concretely and deeply. Meanwhile, how to improve the Post-HF calculation has been pointed out.The irrationality of the HLC correction in the G1 and G2 theories has been analyzed concretely and deeply. Meanwhile, how to improve the Post-HF calculation has been pointed out.

关 键 词：interpair CORRELATION intrapair CORRELATION G1 and G2 theories HLC correction. 

分 类 号：O613[理学—无机化学]