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Time-dependent Kohn-Sham theory with memory.

H O Wijewardane1, C A Ullrich

  • 1Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA.

Physical Review Letters
|October 4, 2005
PubMed
Summary
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Exchange-correlation effects beyond the adiabatic approximation in time-dependent density-functional theory exhibit memory, causing decoherence and energy relaxation in electron liquids. This study solves time-dependent Kohn-Sham equations to analyze these memory effects and extract relaxation rates.

Area of Science:

  • Condensed matter physics
  • Quantum mechanics
  • Computational physics

Background:

  • Time-dependent density-functional theory (TDDFT) describes electron dynamics.
  • Adiabatic approximation in TDDFT has limitations for exchange-correlation (xc).
  • Viscoelastic stresses in the electron liquid model non-adiabatic xc effects.

Purpose of the Study:

  • Investigate memory effects in velocity-dependent xc potentials.
  • Clarify the mechanism of dissipation and energy relaxation.
  • Extract intersubband relaxation rates in quantum wells.

Main Methods:

  • Solving time-dependent Kohn-Sham equations with memory effects.
  • Including time-dependence on densities and currents.
  • Analyzing charge-density oscillations in a quantum well.

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Main Results:

  • Demonstrated xc memory effects in the time domain.
  • Identified short- and long-range components of xc memory.
  • Quantified intersubband relaxation rates for varying excitation strengths.

Conclusions:

  • Non-adiabatic xc effects exhibit memory, influencing electron dynamics.
  • Memory effects lead to decoherence and energy dissipation.
  • The model provides a framework for understanding relaxation in quantum systems.