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The Wigner localization of interacting electrons in a one-dimensional harmonic potential.

Authors :
Telleria-Allika, Xabier
Escobar Azor, Miguel
François, Grégoire
Bendazzoli, Gian Luigi
Matxain, Jon M.
Lopez, Xabier
Evangelisti, Stefano
Berger, J. Arjan
Source :
Journal of Chemical Physics; 11/7/2022, Vol. 157 Issue 17, p1-9, 9p
Publication Year :
2022

Abstract

In this work, we study the Wigner localization of interacting electrons that are confined to a quasi-one-dimensional harmonic potential using accurate quantum chemistry approaches. We demonstrate that the Wigner regime can be reached using small values of the confinement parameter. To obtain physical insight in our results, we analyze them with a semi-analytical model for two electrons. Thanks to electronic-structure properties such as the one-body density and the particle–hole entropy, we are able to define a path that connects the Wigner regime to the Fermi-gas regime by varying the confinement parameter. In particular, we show that the particle–hole entropy, as a function of the confinement parameter, smoothly connects the two regimes. Moreover, it exhibits a maximum that could be interpreted as the transition point between the localized and delocalized regimes. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
QUANTUM chemistry
ELECTRONS
ENTROPY

Details

Language :
English
ISSN :
00219606
Volume :
157
Issue :
17
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
160067551
Full Text :
https://doi.org/10.1063/5.0112413