Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2011-01-14
Phys. Rev. B 84, 075107 (2011)
Physics
Condensed Matter
Other Condensed Matter
Scientific paper
10.1103/PhysRevB.84.075107
Through the exact solution of a two-electron system interacting with a monochromatic laser we prove that all adiabatic density functionals within time-dependent density-functional theory are not able to discern between resonant and non-resonant (detuned) Rabi oscillations. This is rationalized in terms of a fictitious dynamical exchange-correlation (xc) detuning of the resonance while the laser is acting. The non-linear dynamics of the Kohn-Sham system shows the characteristic features of detuned Rabi oscillations even if the exact resonant frequency is used. We identify the source of this error in a contribution from the xc-functional to the non-linear equations describing the electron dynamics in an effective two-level system. The constraint of preventing the detuning introduces a new strong condition to be satisfied by approximate xc-functionals.
Fuks Johanna I.
Helbig N.
Rubio Angel
Tokatly Ilya V.
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