Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 82: Poster Focus Session: Frontiers of Electronic-Structure Theory - Correlated Electron Materials

O 82.3: Poster

Mittwoch, 14. März 2018, 18:15–20:30, Poster A

Force balance equation and exchange-correlation potentials in time-dependent current density functional theory(tdCDFT) — •Mary-Leena Martine Tchenkoue Djouom, Markus Penz, Michael Ruggenthaler, and Angel Rubio — Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany

The Runge-Gross theorem as the conceptual basis of tdCDFT is based on a force balance equation from which the existence of a unique mapping between potentials (including a vector potential) on the one side and one-particle densities and currents on the other side is derived. Since tdCDFT is expected to solve important problems that persist in tdDFT (without regarding vector potentials and currents) the study of this force equation is of special interest. Here we use the force balance equation to derive approximate exchange-correlation potentials that obey basic conditions such as zero-force and zero-torque. Such approximations will be useful in the calculation of dynamical properties of many-particle systems.