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

    22 Scopus citations

    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

    ASJC Scopus subject areas

    • General Physics and Astronomy
    • Physical and Theoretical Chemistry

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