Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional
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Media type:
E-Article
Title:
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functional
Contributor:
Kronik, Leeor;
Kümmel, Stephan
imprint:
Royal Society of Chemistry (RSC), 2020
Published in:Physical Chemistry Chemical Physics
Language:
English
DOI:
10.1039/d0cp02564j
ISSN:
1463-9076;
1463-9084
Origination:
Footnote:
Description:
<p>Three properties of the exact energy functional of DFT are important in general and for spectroscopy in particular, but are not necessarily obeyed by approximate functionals. We explain what they are, why they are important, and how they are related yet inequivalent.</p>