高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (9): 1241.

• 论文 • 上一篇    下一篇

约化密度矩阵中的N表示问题

江小勤, 蒋茂森, 李伯符, 孙家锺   

  1. 吉林大学理论化学研究所、数学系, 长春, 130023
  • 收稿日期:1992-01-29 出版日期:1992-09-24 发布日期:1992-09-24
  • 通讯作者: 江小勤
  • 基金资助:

    国家自然科学基金

N-representability Problem in the Reduced Density Matrix

JIANG Xiao-Qin, JIANG Mao-Sen, LI Bo-Fu, SUN Chia-Chun   

  1. Institute of Theoretical Chemistry, Department of Mathematics, Jilin University, Changchun, 130023
  • Received:1992-01-29 Online:1992-09-24 Published:1992-09-24

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.

关键词: 多体波函数, 辛群对称性, 约化密度矩阵, N表示问题

Abstract: 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.

Key words: Multi-body wavefunction, Symplectic symmetry, Reduced density matrix, N-representability problem

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