Correlated dynamics of electrons with reduced two-electron density matrices

被引：14

作者：

Schaefer-Bung, B. ^{[1
]}

Nest, M. ^{[1
]}

机构：

[1] Univ Potsdam, Inst Chem, D-14476 Potsdam, Germany

来源：

PHYSICAL REVIEW A | 2008年 / 78卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.78.012512

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We present an approach to the correlated dynamics of many-electron systems. We show, that the two-electron reduced density matrix (2RDM) can provide a suitable description of the real time evolution of a system. To achieve this, the hierarchy of equations of motion must be truncated in a practical way. Also, the computational effort, given that the 2RDM is represented by products of two-electron determinants, is discussed, and numerical model calculations are presented.

引用

页数：6

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