Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon.

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作者信息

Porezag D, Frauenheim T, Köhler T, Seifert G, Kaschner R

出版信息

Phys Rev B Condens Matter. 1995 May 15;51(19):12947-12957. doi: 10.1103/physrevb.51.12947.

DOI:10.1103/physrevb.51.12947

PMID:9978089

Abstract

摘要

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Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon.

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