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Article Dans Une Revue Journal of Chemical Physics Année : 2022

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

Résumé

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.

Dates et versions

hal-03885863 , version 1 (06-12-2022)

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Citer

Xabier Telleria-Allika, Miguel Escobar Azor, Grégoire François, Gian Luigi Bendazzoli, Jon M Matxain, et al.. The Wigner localization of interacting electrons in a one-dimensional harmonic potential. Journal of Chemical Physics, 2022, 157 (17), pp.174107. ⟨10.1063/5.0112413⟩. ⟨hal-03885863⟩
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