摘要
利用准自旋-辛群对称性基函数及Kummer提出的构造暴露算子法研究了量子化学中密度矩阵N表示理论的端点问题,找出了更多的二阶约化密度矩阵凸集的端点.
By means of the basis functions with quasispin-symplectic symmetry and the method of constructing expose operator proved by Kummer,the extreme point problem of the N-repre-sentability theory of the reduced density matrix in quantum chemistry is studied Furthermore,on the basis of the former works,some more extreme points of the convex set of the second reduced density matrix are discovered.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1992年第9期1241-1244,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
关键词
约化密度矩阵
N表示问题
Multi-body wavefunction,Symplectic symmetry,Reduced density matrix,N-representability problem
