math.APSep 1, 2026

Sharp Mixed Spectral Barron Regularity of Coulombic Many-Electron Wave Functions

Authors: Pingbing MingHao Yu

Abstract

We establish sharp mixed spectral Barron regularity for eigenfunctions of molecular Coulomb Hamiltonians. The mixed norm is a Fourier L1L^1 norm with one isotropic weight and coordinate-product weights, and therefore detects regularity invisible to the isotropic Barron scale. For a nonempty set II of electron indices on which the wave function is antisymmetric, we derive an explicit admissible region for the isotropic order ss and the coordinate orders α,βα,β. This region is optimal as a uniform statement over the class of clamped-nuclei Coulomb Hamiltonians. For fixed-spin components with two occupied spin blocks, it reduces to s+α+β<1s+α+β<1; in the fully spin-polarized class it reduces to s+α<1s+α<1. In particular, if Iσ\mathcal I_σ denotes the family of occupied same-spin blocks determined by σσ, then every fixed-spin spatial component ψσψ_σ satisfies, for every 0α<10\leqα<1,

(IIσiIξiα)ψσ^L1(R3N).\left(\sum_{I\in\mathcal I_σ}\prod_{i\in I}\langleξ_i\rangle^α\right)\widehat{ψ_σ}\in L^1(\mathbb{R}^{3N}).

For a fully spin-polarized state, Iσ={{1,,N}}\mathcal I_σ=\{\{1,\ldots,N\}\}.

Explore similar work

CardsList