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

Research output: Contribution to journalArticlepeer-review

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
Article number044102
JournalJournal of Chemical Physics
Volume150
Issue number4
DOIs
StatePublished - 28 Jan 2019
Externally publishedYes

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