Dr Leonardo Bernasconi - Electronic excitations and dynamics in the condensed ph
Tuesday 22 November 2011, 13:30
Dr Leonardo Bernasconi, (CSED RAL)
I will describe examples of the application of Time-Dependent Density Functional Theory (TD-DFT) to extended crystalline and disordered systems. I will focus on the calculation of optical absorption spectra, and show how these can be computed very efficiently (and typically with an accuracy comparable to Green's function based methods) using proper formulations of TD-DFT for extended systems. I will also address the application of TD-DFT to the study of adiabatic dynamics in excited states, and to the description of time-resolved electronic spectroscopy in molecules and condensed phases.