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Orthogonalization of Fermion k-Body Operators and Representability. (arXiv:1807.05299v1 [math-ph])

来源于:arXiv
The reduced k-particle density matrix of a density matrix on finite-dimensional, fermion Fock space can be defined as the image under the orthogonal projection in the Hilbert-Schmidt geometry onto the space of k-body observables. A proper understanding of this projection is therefore intimately related to the representability problem, a long-standing open problem in computational quantum chemistry. Given an orthonormal basis in the finite-dimensional one-particle Hilbert space, we explicitly construct an orthonormal basis of the space of Fock space operators which restricts to an orthonormal basis of the space of k-body operators for all k. 查看全文>>