Schäfer-Bung, B. and Nest , M. (2008) Correlated Dynamics of Electrons with Reduced 2-Electron Density Matrices. Phys. Rev. A, 78 (1). 012512.
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Official URL: http://dx.doi.org/10.1103/PhysRevA.78.012512
Abstract
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.
| Item Type: | Article |
|---|---|
| Subjects: | Physical Sciences > Physics > Mathematical & Theoretical Physics > Computational Physics Physical Sciences > Physics > Chemical Physics |
| ID Code: | 952 |
| Deposited By: | Dr. Boris Schäfer-Bung |
| Deposited On: | 28 Sep 2010 09:32 |
| Last Modified: | 30 Sep 2010 13:45 |
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