Seminars Archive

Time-dependent DFT in a real space, real time implementation

Abstract
\"Time-Dependent Density-Functional Theory (TDDFT) is known to be a general and moderate computational cost method to access the excited state properties of finite systems subject to external time-dependent probes. TDDFT is the natural extension to the time-domain of the ordinary DFT. This theory has its foundations in the Runge-Gross theorem, which provides a rigorous proof of the one to one correspondence between the time-dependent charge density of a system and the time-dependent external potential acting on it. We have implemented TDDFT in a real-space real-time scheme in the open source code \"octopus\" (http://www.tddft.org/programs/octopus), and we illustrate its applications ranging from finite molecular systems to infinite and reduced dimensionality ones.\"