Self-consistent tight binding model adapted for hydrocarbon systems

Molecular Simulation

Volumn 31, Issue 8, 2005, Pages 585-595

  Areshkin, D A ^a   Shenderova, O A ^a   Schall, J D ^a   Brenner, D W ^a  

^a North Carolina State University   (United States)

Author keywords

DF TB; Fitting Eigenvalue spectra; Fitting Electron densities

Indexed keywords

CARBON NANOTUBES; CARRIER CONCENTRATION; CHARGE TRANSFER; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON EMISSION; FERMI LEVEL; HAMILTONIANS; MATHEMATICAL MODELS; MATRIX ALGEBRA;

DENSITY FUNCTION-TIGHT BINDING (DF-TB); FITTING EIGENVALUE SPECTRA; FITTING ELECTRON DENSITIES; HYDROCARBON SYSTEMS;

HYDROCARBONS;

EID: 23744468282     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500044988     Document Type: Article

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