Theoretical investigations of the electronic structure and optical properties of metallic nanoshells

[摘要] The electronic structure and optical properties of metallic nanoshells are theoretically investigated. An efficient implementation of the Time Dependent Local Density Approximation creates the possibility of applyingab initio calculations to real size metallic nanoshells for which experimental data are available. It is proven that, when the dielectric effects of the core, embedding medium and d-electrons are taken into account, theab initio calculations reproduce the experimentally measured photo-absorption cross section of these unique nanoparticles.

[发布机构] Rice University

[效力级别] chemistry