October 2023 Upper bounds of local electronic densities in molecules
Sohei ASHIDA
Author Affiliations +
Hokkaido Math. J. 52(3): 495-516 (October 2023). DOI: 10.14492/hokmj/2021-577

Abstract

The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a priori upper bound for such local distributions of the densities is given. The bound means that concentration of electrons is prohibited due to the repulsion between the electrons. A relation between one-electron and two-electron densities resulting from the antisymmetry of the eigenfunctions plays a crucial role in the proof.

Citation

Download Citation

Sohei ASHIDA. "Upper bounds of local electronic densities in molecules." Hokkaido Math. J. 52 (3) 495 - 516, October 2023. https://doi.org/10.14492/hokmj/2021-577

Information

Received: 20 December 2021; Revised: 6 May 2022; Published: October 2023
First available in Project Euclid: 9 November 2023

Digital Object Identifier: 10.14492/hokmj/2021-577

Subjects:
Primary: 81V55
Secondary: 35B45

Keywords: eigenfunction , electronic density , molecule

Rights: Copyright c 2023 Hokkaido University, Department of Mathematics

JOURNAL ARTICLE
22 PAGES

This article is only available to subscribers.
It is not available for individual sale.
+ SAVE TO MY LIBRARY

Vol.52 • No. 3 • October 2023
Back to Top