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

Mathematical Physics 2024-12-23 v1 math.MP

Abstract

For bound states of atoms and molecules of NN electrons we consider the corresponding KK-particle reduced density matrices, Γ(K)\Gamma^{(K)}, for 1KN11 \le K \le N-1. Previously, eigenvalue bounds were obtained in the case of K=1K=1 and K=N1K=N-1 by A.V. Sobolev. The purpose of the current work is to obtain bounds in the case of 2KN22 \le K \le N-2. For such KK we label the eigenvalues of the positive, trace class operators Γ(K)\Gamma^{(K)} by λn(Γ(K))\lambda_n(\Gamma^{(K)}) for n=1,2,n=1,2,\dots, and obtain the bounds λn(Γ(K))CnαK\lambda_n(\Gamma^{(K)}) \le Cn^{-\alpha_K} for all nn, where αK=1+7/(3L)\alpha_K = 1 + 7/(3L) and L=min{K,NK}L = \min\{K,N-K\}.

Keywords

Cite

@article{arxiv.2412.16073,
  title  = {Eigenvalue Bounds for Multi-Particle Reduced Density Matrices of Coulombic Wavefunctions},
  author = {Peter Hearnshaw},
  journal= {arXiv preprint arXiv:2412.16073},
  year   = {2024}
}
R2 v1 2026-06-28T20:44:05.521Z