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Some Theorems on Uniqueness and Reconstruction of Higher-Order Density Matrices

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Many-Electron Densities and Reduced Density Matrices

Part of the book series: Mathematical and Computational Chemistry ((MACC))

Abstract

The 2-matrix corresponding to an N-particle wave function Ψ is defined by the relation

$$ ^{2}{\Gamma _{{ij;kl}}} \equiv \int {\varphi _{i}^{*}\left( {X_{1}^{'}} \right)\varphi _{j}^{*}\left( {X_{1}^{'}} \right)} {\Gamma _{2}}\left( {X_{1}^{'},X_{2}^{'};{X_{1}},{X_{2}}} \right){\varphi _{k}}\left( {{X_{1}}} \right){\varphi _{1}}\left( {{X_{2}}} \right)dx_{1}^{'}dx_{2}^{'}d{x_{1}}d{x_{2}} = \left\langle {\Psi \left| {\hat{a}_{i}^{ + }\hat{a}_{j}^{ + }{{\hat{a}}_{l}}{{\hat{a}}_{k}}} \right|\Psi } \right\rangle . $$
((1.1))

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Rosina, M. (2000). Some Theorems on Uniqueness and Reconstruction of Higher-Order Density Matrices. In: Cioslowski, J. (eds) Many-Electron Densities and Reduced Density Matrices. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4211-7_2

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  • DOI: https://doi.org/10.1007/978-1-4615-4211-7_2

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-6890-8

  • Online ISBN: 978-1-4615-4211-7

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