Berlin 2012 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 35: Poster Session II (Polymeric biomolecular films; Nanostructures; Electronic structure; Spin-orbit interaction; Phase transitions; Surface chemical reactions; Heterogeneous catalysis; Particles and clusters; Surface magnetism; Electron and spin dynamics; Surface dynamics; Methods; Electronic structure theory; Functional molecules)

O 35.139: Poster

Dienstag, 27. März 2012, 18:15–21:45, Poster B

Description of Rabi oscillations in density-functional theory: The effect of spin — •Jeiran Jokar and Nicole Helbig — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

Applying a monochromatic laser with a frequency close to resonance leads to Rabi oscillations between the initial and an excited state of the system. These oscillations are a prototype for the nonlinear interaction of light with matter and one of the few analytically solvable cases of nonlinear electron dynamics where the population of states changes dramatically in time. Due to these dramatic changes a description within density-functional theory needs to go beyond the use of adiabatic functionals. Here, we investigate the influence of the spin of the initial state as well as the polarization of the laser on the quality of a DFT description in order to gain more insight into how to construct non-adiabatic approximations. Through the exact solution of one and two-dimensional two-electron systems interacting with a monochromatic laser of either linear or circular polarization we are able to assess the quality of a local density approximation and the exact exchange approximation.