Login / Signup

Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission.

Hsing-Ta ChenTao E LiMaxim SukharevAbraham NitzanJoseph E Subotnik
Published in: The Journal of chemical physics (2019)
The dynamics of an electronic system interacting with an electromagnetic field is investigated within mixed quantum-classical theory. Beyond the classical path approximation (where we ignore all feedback from the electronic system on the photon field), we consider all electron-photon interactions explicitly according to Ehrenfest (i.e., mean-field) dynamics and a set of coupled Maxwell-Liouville equations. Because Ehrenfest dynamics cannot capture certain quantum features of the photon field correctly, we propose a new Ehrenfest+R method that can recover (by construction) spontaneous emission while also distinguishing between electromagnetic fluctuations and coherent emission.
Keyphrases
  • monte carlo
  • molecular dynamics
  • living cells
  • high frequency
  • atomic force microscopy
  • quantum dots
  • single molecule
  • high speed