First principles elaboration of low band gap ladder-type polymers

Journal of Chemical Physics

Volumn 130, Issue 11, 2009, Pages

  Pesant, Simon ^a   Dumont, Guillaume ^a   Langevin, Śbastien ^a   Côt́, Michel ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BORON; BORON COMPOUNDS; ENERGY GAP; FUNCTIONAL POLYMERS; LADDERS; OLIGOMERS; POLYMERS; SULFUR; SULFUR COMPOUNDS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

ATOMIC STRUCTURES; BAND-GAP SEMICONDUCTORS; BORON ATOMS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FIRST PRINCIPLES; GW APPROXIMATIONS; LOCAL DENSITIES; LOW BAND GAPS; LOW-EXCITATION ENERGIES; POLYTHIOPHENE; SIMPLE SUBSTITUTIONS; SULFUR ATOMS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES; UNOCCUPIED STATE;

DENSITY FUNCTIONAL THEORY;

EID: 63149181578     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3081184     Document Type: Article

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