Regularity of the (N-1)-particle electronic reduced density matrix for molecules with fixed nuclei and N electrons

TL;DR

This paper investigates the smoothness properties of the (N-1)-particle reduced density matrix in molecular systems with fixed nuclei, providing insights into electronic correlations near collision points.

Contribution

It establishes the regularity of the (N-1)-particle reduced density matrix for molecules with Coulomb interactions and fixed nuclei, advancing understanding of electronic structure.

Findings

Proves regularity of the reduced density matrix near electronic collisions.

Provides mathematical characterization of electronic correlations.

Enhances theoretical understanding of molecular electronic states.

Abstract

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 determine the regularity of the (N-1)-particle electronic reduced density matrix. Published in Letters in Mathematical Physics.