Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree–Fock exchange
Abstract
We show here the general validity of most popular electronic structure based material descriptors for all transition metals, unbiased by the usage of one or more specific density functional computational...
Paper Details
Title
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree–Fock exchange
Published Date
Jan 1, 2015
Journal
Volume
51
Issue
26
Pages
5602 - 5605
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Notes
History