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

Published 20 Dec 2024 in math-ph and math.MP | (2412.16073v1)

Abstract: For bound states of atoms and molecules of $N$ electrons we consider the corresponding $K$-particle reduced density matrices, $\Gamma{(K)}$, for $1 \le K \le N-1$. Previously, eigenvalue bounds were obtained in the case of $K=1$ and $K=N-1$ by A.V. Sobolev. The purpose of the current work is to obtain bounds in the case of $2 \le K \le N-2$. For such $K$ we label the eigenvalues of the positive, trace class operators $\Gamma{(K)}$ by $\lambda_n(\Gamma{(K)})$ for $n=1,2,\dots$, and obtain the bounds $\lambda_n(\Gamma{(K)}) \le Cn{-\alpha_K}$ for all $n$, where $\alpha_K = 1 + 7/(3L)$ and $L = \min{K,N-K}$.

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