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Limited regularity of a specific electronic reduced density matrix for molecules

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arxiv 2309.06318 v3 pith:7ZWJOKPU submitted 2023-09-12 math-ph math.MP

Thierry Jecko , Camille Noûs This is my paper · ORCID
classification math-phmath.MP
keywords electronicdensitymatrixreducedadvancesappearappropriatebound
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We consider an electronic bound state of the usual, non-relativistic, molecular Hamiltonian with Coulomb interactions, fixed nuclei, and N electrons (N>1). Near appropriate electronic collisions, we prove that the (N-1)-particle electronic reduced density matrix is not smooth. To appear in Advances in Theoritical and Mathematical Physics.

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  1. Eigenvalue Bounds for Multi-Particle Reduced Density Matrices of Coulombic Wavefunctions

    math-ph 2024-12 conditional novelty 6.0 of 10

    For bound states of N-electron atoms and molecules, the eigenvalues of the K-particle reduced density matrix decay as n^{-(1+7/(3 min{K,N-K}))}.

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