Effects of Lagrangian Multipliers on SWCNT in Real Space

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Electronic properties, band width, band gap and van Hove singularities, of (3,0), (4,0) and (9,0) zigzag nanotubes are comparatively investigated in the Harigaya's model and a toy model including the contributions of bonds of different types to the SSH Hamiltonian differently. Optical transition frequencies are calculated. In this way an experimental correlation between the two models is achieved.
accepted for publication in Int. J. Quantum Chem.; 11 pages; 5 figures

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Materials Science, Chemical Physics, Quantum Physics

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http://salesiana.dossiersoluciones.com/handle/123456789/108394

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0602455
 http://arxiv.org/abs/cond-mat/0602455
 International Journal of Quantum Chemistry, Vol 106, 2100-2106 (2006)
 doi:10.1002/qua.20994

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arXiv