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Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations
2009
Physical Chemistry, Chemical Physics - PCCP
We review electronic structure calculations of finite-length semiconducting carbon nanotubes using time-dependent density functional theory (TD-DFT) and the time dependent Hartree-Fock (TD-HF) approach coupled with semi-empirical AM1 and ZINDO Hamiltonians. We specifically focus on the energy splitting, relative ordering, and localization properties of optically active (bright) and optically forbidden (dark) states from the lowest excitonic band of the nanotubes. These excitonic states are very
doi:10.1039/b818473a
pmid:19458812
fatcat:gledreizlzc3tkrgcxo6nuuela