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Quantum-Classical Modeling of Chemical Phenomena
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Quantum-Classical Modeling of Chemical Phenomena
CSIC Building (#406),
Seminar Room 4122.
Directions: home.cscamm.umd.edu/directions
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Dynamics of interacting electrons
Xu Yang
Princeton
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Abstract:
We study the dynamics of interacting electrons in crystals based on
the time dependent density functional theory, and aim at possible
applications in nano-optics and semi conductor modeling. On one
hand, we looked at the Thomas-Fermi model coupled with microscopic
Maxwell system which could be used in describing the many body quantum
effects in surface plasmon polariton. On the other, we studied the
electron dynamics in semiconductor using the Hartree-Fock model, and
mainly focused on the case of many electrons interacted through
Coulomb potentials. There have been two different time regimes
corresponding to two different homogenized systems. For the high
frequency regime (short time dynamics), we obtained an effective
dynamic dielectric response system; for the low frequency regime
(long time dynamics), we obtain effective transport-type equations.
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