Tight-binding model for carbon from the third-generation LMTO method: A study of transferability

Bulletin of Materials Science

Volumn 26, Issue 1, 2003, Pages 27-32

  Nguyen Manh, D ^a   Saha Dasgupta, T ^b,c   Andersen, O K ^b  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^c S N BOSE NATIONAL CENTRE FOR BASIC SCIENCES   (India)

Author keywords

Ab initio calculations; Carbon materials; Electronic structure; Tight binding; Transferability

Indexed keywords

BOUNDARY CONDITIONS; CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; FERMI SURFACE; HAMILTONIANS; MATHEMATICAL MODELS; NUMERICAL ANALYSIS;

LINEAR MUFFIN TIN ORBITAL; SCREENED SPHERICAL WAVES; TIGHT BINDING; TRANSFERABILITY;

CARBON;

EID: 0037289218     PISSN: 02504707     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02712784     Document Type: Article

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