Spectral properties of cones of approximately representable reduced density matrices |
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Authors: | Robert M. Erdahl Hubert Grudziński |
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Affiliation: | Department of Mathematics, Queen''s University, Kingston, Ontario, Canada;Institute of Physics, Nicholas Copernicus University, Toruń, Poland |
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Abstract: | We introduce a definition of the approximate spectrum of an operator which is useful in reduced density matrix theory. With precise knowledge of 2 (the cone of representable reduced 2-densities) our approximate spectrum of any Hermitian, symmetric, one-body operator, A, agrees with the usual spectrum of operators on Fock space. The virtue of our definition is that with only approximate knowledge of 2 we can compute the approximate spectrum for A. The approximate spectrum turns out to be a sensitive tool in assessing the quality of cones of approximately representable reduced 2-densities. Using this notion, we are able to point out a dramatic failure of one cone of approximately representable reduced 2-densities often referred to in the literature. In addition we show how reduced density matrices for excited states of systems with two-body interactions can be computed, given 4 the cone of reduced 4-densities. |
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