A DFT-based Tight-Binding Approach to the Self-consistent Description of Molecule Metal-Nanoparticle Interactions

29 May 2019 Liu Xiaomeng Seiffert Lennart Fennel Thomas Kühn Oliver

The interaction within a hybrid system consisting of a spherical metal nanoparticle and a nearby organic dye molecule is formulated in a combined quantum-classical approach. Whereas the nanoparticle's polarization field is treated in classical multipole form, the electronic charge density of the molecule is described quantum mechanically... (read more)

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  • CHEMICAL PHYSICS