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arxiv: 1807.05299 · v2 · pith:6XX7ZXYHnew · submitted 2018-07-13 · 🧮 math-ph · math.MP

Orthogonalization of fermion k-body operators and representability

classification 🧮 math-ph math.MP
keywords spacebasisk-bodyoperatorsorthonormaldensityfermionfinite-dimensional
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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 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.

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