Signatures of Wigner localization in one-dimensional systems

We propose a simple and efficient approach to study Wigner localization in one-dimensional systems using ab initio theory. In particular, we propose a suitable basis for the study of localization which consists of equally spaced overlapping gaussians. We illustrate our approach with full-configurati...

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Veröffentlicht in:The Journal of chemical physics 2018-03, Vol.148 (12), p.124103-124103
Hauptverfasser: Diaz-Marquez, Alejandro, Battaglia, Stefano, Bendazzoli, Gian Luigi, Evangelisti, Stefano, Leininger, Thierry, Berger, J. A.
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Sprache:eng
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Zusammenfassung:We propose a simple and efficient approach to study Wigner localization in one-dimensional systems using ab initio theory. In particular, we propose a suitable basis for the study of localization which consists of equally spaced overlapping gaussians. We illustrate our approach with full-configuration interaction which yields exact results for a given basis set. With our approach, we were able to study up to 8 electrons with full-configuration interaction. Finally, we propose the total-position spread tensor and the total electron entropy as convenient quantities to obtain signatures of Wigner localization.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.5017118