Unfolding method for first-principles LCAO electronic structure calculations

Journal of Physics Condensed Matter

Volumn 25, Issue 34, 2013, Pages

  Lee, Chi Cheng ^a   Yamada Takamura, Yukiko ^a   Ozaki, Taisuke ^a  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE CALCULATIONS; GENERAL FORMULAS; LINEAR COMBINATION OF ATOMIC ORBITALS; NON-ORTHOGONALITY; OUT-OF-PLANE DIRECTION; SPECTRAL BROADENING; SYMMETRY BREAKER; WANNIER FUNCTIONS;

BAND STRUCTURE; ELECTRONIC STRUCTURE; FUNCTIONS; IMPURITIES; QUANTUM CHEMISTRY;

CALCULATIONS;

EID: 84881336054     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/34/345501     Document Type: Article

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