Seminario de Física Teórica
Lugar: ICIMAF, Calle E esq. 15, Vedado
Fecha: Viernes 30 de Ene., 2 pm
Ponente: Gabriel Gil
Titulo: Electronic excitations in hybrid nanosystems
Resumen: We introduce a novel numerical approach to treat the electronic excitations of an hybrid nanosystem composed by an organic molecule and a semiconductor nanoparticle, starting from the correct physical descriptions of both scenarios. The states and spectra of the subsystems will be computed by state-of- the-art Configuration Interaction approaches, either atomistic (for the molecule) or envelope-function based (for the nanoparticle), while the Coulomb coupling will be represented and diagonalized in the space generated by the correlated states of the separated fragments, so as to obtain the eigenstates of the hybrid system. This method, called Hybrid Configuration Interaction, will allow us to study the direct and indirect (or charge-transfer) optical excitations taking into account correlation effects in both subsystems, as well as electrostatic interaction with the environment. In the direct case we check our ab initio predictions against the Förster energy-transfer theory with dipole-dipole and dipole-quadrupole electronic coupling. Foreseen applications are in the field of light response of dye sensitized solar cells.