2017
DOI: 10.1103/physrevmaterials.1.043801
|View full text |Cite
|
Sign up to set email alerts
|

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

Abstract: 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-throughp… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1

Citation Types

0
3
0

Year Published

2018
2018
2023
2023

Publication Types

Select...
3
1

Relationship

1
3

Authors

Journals

citations
Cited by 4 publications
(3 citation statements)
references
References 26 publications
0
3
0
Order By: Relevance
“…The trace distance is bounded D Tr ∈ [0, 1]. Because the trace distance has a maximum, in addition to be sensitive to changes in the system state and continuous, it is possible to establish a quantitative meaning for the words long/short distance: A distance can be defined as short when it is below a certain percentage of the maximum distance[56][57][58]. For example, a threshold of 10% corresponds to a short distance being, at least, one order of magnitude shorter than the distance maximum.…”
mentioning
confidence: 99%
“…The trace distance is bounded D Tr ∈ [0, 1]. Because the trace distance has a maximum, in addition to be sensitive to changes in the system state and continuous, it is possible to establish a quantitative meaning for the words long/short distance: A distance can be defined as short when it is below a certain percentage of the maximum distance[56][57][58]. For example, a threshold of 10% corresponds to a short distance being, at least, one order of magnitude shorter than the distance maximum.…”
mentioning
confidence: 99%
“…Consequently, Russia prefers bilateral relations with the biggest EU member states than with the EU as such. 231 As a result, Russia benefits less economically from the LIO than it could. That in turn means that it might perceive the costs of further weakening the ties with LIO as limited and worth the benefits of its revanchist and aggressive policies throughout Eurasia.…”
Section: Hedging Their Betsmentioning
confidence: 99%
“…In metric space one can assign distances between wave functions, densities and external potentials of two systems, which quantify the closeness between the systems. Recently natural distances have been proposed for physical systems [8][9][10] and applied in several contexts [11][12][13][14][15][16][17][18].…”
Section: Introductionmentioning
confidence: 99%