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Correlated dynamics of electrons with reduced 2-electron density matrices

  • 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.

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Author details:Boris Schäfer-Bung, Mathias NestGND
URL:http://dx.doi.org/10.1103/PhysRevA.78.012512
Publication type:Article
Language:English
Year of first publication:2008
Publication year:2008
Release date:2017/03/25
Source:Physical review / a. - 78 (2008), 1, S. 012512-1 - 012512-6
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer review:Referiert
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