Grassmann products, cumulants, and two-electron reduced density matrices

被引:33
|
作者
Harriman, JE
机构
[1] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
[2] Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA
来源
PHYSICAL REVIEW A | 2002年 / 65卷 / 05期
关键词
D O I
10.1103/PhysRevA.65.052507
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Some properties of Grassmann products of one-electron operators and of cumulants and related quantities for two-electron reduced density matrices (2-RDMs) are reported. The results suggest that any physical significance of the Grassmann product plus cumulant decomposition must be based on the physics of the system described, not just on the mathematical structure. The Grassmann product plus cumulant decomposition of the 2-RDM is resolved into components based on unitary invariants. Simple examples using mathematically acceptable but physically unlikely wave functions show that a Grassmann product differing from the usual one may better approximate the 2-RDM, and that the usual Grassmann product, cumulant, and 2-RDM can be mutually proportional.
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页数:9
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