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

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 physica...

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Bibliographic Details
Published in:The Journal of chemical physics 2022-11, Vol.157 (17), p.174107-174107
Main Authors: Telleria-Allika, Xabier, Escobar Azor, Miguel, François, Grégoire, Bendazzoli, Gian Luigi, Matxain, Jon M., Lopez, Xabier, Evangelisti, Stefano, Berger, J. Arjan
Format: Article
Language:English
Subjects:
Condensed Matter
Confinement
Electronic structure
Electrons
Entropy
Localization
Parameters
Physics
Quantum chemistry
Strongly Correlated Electrons
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0112413