Performance of the exact adiabatic density functional to describe Rabi physics

ORAL

Abstract

Through the exact solution of few-electron systems interacting with a monochromatic laser we study the performance of adiabatic density functionals within time-dependent density-functional theory (TDDFT) to reproduce Rabi oscillations. The non-linear dynamics of the Kohn-Sham (KS) system shows the characteristic features of detuned Rabi oscillations even if the exact resonant frequency is used. We illustrate this effect by comparing the exact time-dependent many-body solution of a He-atom in one dimension and a few-site Hubbard model with the solution of TDDFT-KS equations for different adiabatic exchange-correlation functionals. Preventing the detuning introduces a new strong condition to be satisfied by approximate new xc-functionals.

Authors

  • Johanna Ildemar Fuks

    Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain

  • Nicole Helbig

    Forschungszentrum J\"ulich D-52425 J\"ulich Germany

  • Heiko Appel

    Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

  • Ilya Tokatly

    Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain

  • Angel Rubio

    Nano-Bio Spectroscopy Group, Departamento de F\'isica de Materiales, Universidad del Pa\'is Vasco, San Sebasti\'an, Spain, Nano-Bio Spectroscopy group and ETSF Center, Dpto. F\'isica de Materiales, Universidad del Pa\'is Vasco, Av. Tolosa 72, E-20018 San Sebastian, Spain, NanoBio Spectroscopy Group and ETSF Scientific Development Centre, Faculty of Chemistry University of the Basque Count