Chemical building blocks in quantum chemical calculations.: Perspective on "The density matrix in many-electron quantum mechanics I.: Generalized product functions.: Factorization and physical interpretation of the density matrices" -: !McWeeny R (1959) Proc R Soc Lond Ser A 253:242-259

被引:14
作者
Angyán, JG [1 ]
机构
[1] Univ Henri Poincare, Inst Nanceien Chim Mol, CNRS, UMR 7565,Lab Chim Theor, F-54506 Vandoeuvre Nancy, France
关键词
generalized product function; group function; ab initio model potentials; embedding; spectator groups;
D O I
10.1007/s002149900048
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
The group function theory described in the title paper of McWeeny is overviewed by pointing out its influence on different fields of theoretical chemistry, in particular its serving as a general framework for various forms of building blocks and local treatments of extended systems.
引用
收藏
页码:238 / 241
页数:4
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