| Literature DB >> 29604812 |
Alejandro Diaz-Marquez1, Stefano Battaglia1, Gian Luigi Bendazzoli2, Stefano Evangelisti1, Thierry Leininger1, J A Berger1.
Abstract
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.Year: 2018 PMID: 29604812 DOI: 10.1063/1.5017118
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488