Wick’s theorem and reconstruction schemes for reduced density matrices |
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Authors: | Chen Feiwu |
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Affiliation: | (1) Department of Chemistry, University of Science and Technology Beijing, Beijing, 100083, China |
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Abstract: | We first obtained a closed form of the Wick’s theorem expressed in Grassman wedge product, which is similar to a binomial expansion. With this new expansion, new reconstruction schemes for reduced density matrices are derived rigorously. The higher order reduced density matrices are systematically decomposed into a sum of the lower order reduced density matrices which could be used to solve the contracted Schr?dinger equation. |
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Keywords: | reduced density matrix Wick’ s theorem occupation number Schr?dinger equation |
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