Signatures of Wigner localization in one-dimensional systems

被引：21

作者：

Diaz-Marquez, Alejandro ^{[1
]}

Battaglia, Stefano ^{[1
,2
]}

Bendazzoli, Gian Luigi ^{[3
]}

Evangelisti, Stefano ^{[1
]}

Leininger, Thierry ^{[1
]}

Berger, J. A. ^{[1
,4
]}

机构：

[1] Univ Toulouse, CNRS, UPS, Lab Chim & Phys Quant,IRSAMC, F-31062 Toulouse, France

[2] Univ Perugia, Dipartimento Chim Biol & Biotecnol, Via Elce Sotto 8, I-06123 Perugia, Italy

[3] Univ Bologna, Viale Risorgimento 4, I-40136 Bologna, Italy

[4] European Theoret Spect Facil, Louvain, Belgium

来源：

JOURNAL OF CHEMICAL PHYSICS | 2018年 / 148卷 / 12期

关键词：

ELECTRON-GAS; NONDYNAMIC CORRELATION; CORRELATION-ENERGY; INSULATING STATE; POLARIZATION; COMPONENTS; SEPARATION; ALGORITHM; SPREAD; MODEL;

D O I：

10.1063/1.5017118

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. Published by AIP Publishing.

引用

页数：7

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