Fingerprint-Based Detection of Non-Local Effects in the Electronic Structure of a Simple Single Component Covalent System

Using fingerprints used mainly in machine learning schemes of the potential energy surface, we detect in a fully algorithmic way long range effects on local physical properties in a simple covalent system of carbon atoms. The fact that these long range effects exist for many configurations implies t...

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Bibliographic Details
Main Authors: Behnam Parsaeifard, Deb Sankar De, Jonas A. Finkler, Stefan Goedecker
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Condensed Matter
Subjects:
Online Access:https://www.mdpi.com/2410-3896/6/1/9