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

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

doi:10.1063/1.5057365

Title: Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

Journal Article · 23 January 2019 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/1.5057365 · OSTI ID:1613216

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^[2]; Subotnik, Joseph E. ^[2]

Pennsylvania State Univ., University Park, PA (United States); DOE/OSTI
Pennsylvania State Univ., University Park, PA (United States)
Arizona State Univ., Tempe, AZ (United States)

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.

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Research Organization:: University of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0019397

OSTI ID:: 1613216

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 4 Vol. 150; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

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