%0 Journal Article
%J Journal of Chemical Physics
%D 2009
%T Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes
%A Wong, Cathy Y.
%A Curutchet, Carles
%A Tretiak, Sergei
%A Scholes, Gregory D.
%K carbon nanotubes
%K centers
%K density functional theory
%K dependence
%K electronic structure
%K elemental semiconductors
%K excitation transfer
%K fluorescence
%K forster theory
%K model
%K molecules
%K photophysics
%K pigments
%K systems
%N 8
%V 130
%X The electronic coupling values and approximate energy transfer rates between semiconductor single-wall carbon nanotubes are calculated using two different approximations, the point dipole approximation and the distributed transition monopole approximation, and the results are compared. It is shown that the point dipole approximation fails dramatically at tube separations typically found in nanotube bundles (similar to 12-16 A) and that the disagreement persists at large tube separations (>100 A, over ten nanotube diameters). When used in Forster resonance energy transfer theory, the coupling between two point transition dipoles is found to overestimate energy transfer rates. It is concluded that the point dipole approximation is inappropriate for use with elongated systems such as carbon nanotubes and that methods which can account for the shape of the particle are more suitable.
%8 2009
%@ 0021-9606