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Orthogonalization of fermion k -body operators and representability

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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… Click to show full abstract

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.

Keywords: orthogonalization fermion; body; body operators; orthonormal basis; space

Journal Title: Physical Review A
Year Published: 2019

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