高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (9): 1241.
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江小勤, 蒋茂森, 李伯符, 孙家锺
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国家自然科学基金
JIANG Xiao-Qin, JIANG Mao-Sen, LI Bo-Fu, SUN Chia-Chun
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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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江小勤, 蒋茂森, 李伯符, 孙家锺. 约化密度矩阵中的N表示问题. 高等学校化学学报, 1992, 13(9): 1241.
JIANG Xiao-Qin, JIANG Mao-Sen, LI Bo-Fu, SUN Chia-Chun . N-representability Problem in the Reduced Density Matrix. Chem. J. Chinese Universities, 1992, 13(9): 1241.
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