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

Hsing Ta Chen, Tao E. Li, Maxim Sukharev, Abraham Nitzan, Joseph E. Subotnik

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Abstract

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.

Original languageEnglish (US)
Article number044102
JournalJournal of Chemical Physics
Volume150
Issue number4
DOIs
StatePublished - Jan 28 2019

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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