Quasi-diabatic band theory with localized crystal orbital transformation

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6189-6193

  Nobutoki, Hideharu ^a   Tsunoda, Sei ^a  

^a MITSUBISHI ELECTRIC CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CRYSTALLINE MATERIALS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FERMI LEVEL; THEORY; TRANSPORT PROPERTIES;

LOCALIZED CRYSTAL ORBITS; OCCUPATION NUMBER ANALYSIS; QUASI DIABATIC BAND THEORY; ZWITTERIONIC STATES;

POLYACETYLENES;

EID: 0030121843     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952757w     Document Type: Article

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