Open AccessTight-Binding-Based Method for Simulations of Complex Materials with Accompanying Database
Author(s) -
D. A. Papaconstantopoulos
Publication year - 2020
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1599754
Subject(s) - tight binding , computer science , monatomic ion , transferability , ternary operation , density functional theory , hamiltonian (control theory) , documentation , theoretical computer science , binary number , byte , database , electronic structure , algorithm , computational chemistry , chemistry , physics , mathematics , programming language , quantum mechanics , arithmetic , machine learning , mathematical optimization , logit
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