Fermionic correlations as metric distances: a useful tool for materials science

Autor:	Marocchi, Simone, Pittalis, Stefano, D'Amico, Irene
Rok vydání:	2017
Předmět:	Condensed Matter - Materials Science Condensed Matter - Strongly Correlated Electrons Quantum Physics 81Qxx
Zdroj:	Phys. Rev. Materials 1, 043801 (2017)
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevMaterials.1.043801
Popis:	We introduce a rigorous, physically appealing, and practical way to measure distances between exchange-only correlations of interacting many-electron systems, which works regardless of their size and inhomogeneity. We show that this distance captures fundamental physical features such as the periodicity of atomic elements, and that it can be used to effectively and efficiently analyze the performance of density functional approximations. We suggest that this metric can find useful applications in high-throughput materials design. Comment: 5 pages, 4 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1703.08709 Zobrazit plný text záznamu View this record from Arxiv