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 | |
| State | Published - Jan 28 2019 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
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.
In: Journal of Chemical Physics, Vol. 150, No. 4, 044102, 28.01.2019.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission
AU - Chen, Hsing Ta
AU - Li, Tao E.
AU - Sukharev, Maxim
AU - Nitzan, Abraham
AU - Subotnik, Joseph E.
PY - 2019/1/28
Y1 - 2019/1/28
N2 - 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.
AB - 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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UR - http://www.scopus.com/inward/citedby.url?scp=85060584162&partnerID=8YFLogxK
U2 - 10.1063/1.5057365
DO - 10.1063/1.5057365
M3 - Article
VL - 150
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 4
M1 - 044102
ER -