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 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.

Automated summary

“”In this work, the Wigner localization of interacting electrons in a one-dimensional harmonic potential is studied using accurate quantum chemistry approaches. The results show that the Wigner regime can be achieved with small values of the confinement parameter. A semi-analytical model for two electrons is used to gain insights into the results. By analyzing electronic structure properties such as the one-body density and the particle-hole entropy, a path connecting the Wigner regime to the Fermi-gas regime is defined by varying the confinement parameter. The particle-hole entropy exhibits a maximum that could be interpreted as the transition point between the localized and delocalized regimes.