Multiscale time-dependent density functional theory: Demonstration for plasmons.

  title={Multiscale time-dependent density functional theory: Demonstration for plasmons.},
  author={Jiajian Jiang and Andrew Abi Mansour and Peter J. Ortoleva},
  journal={The Journal of chemical physics},
  volume={147 5},
Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function… CONTINUE READING
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