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

doi:10.1063/1.5057365

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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10 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 language	English (US)
Article number	044102
Journal	Journal of Chemical Physics
Volume	150
Issue number	4
DOIs	https://doi.org/10.1063/1.5057365
State	Published - Jan 28 2019

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ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Cite this

Chen, H. T., Li, T. E., Sukharev, M., Nitzan, A., & Subotnik, J. E. (2019). Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission. Journal of Chemical Physics, 150(4), [044102]. https://doi.org/10.1063/1.5057365

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10.1063/1.5057365