Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomena

Rosenzweig, Bart; Hoffmann, Norah M.; Lacombe, Lionel; Maitra, Neepa T.

doi:10.1063/5.0079379

Title: Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomena

Journal Article · 01 February 2022 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0079379 · OSTI ID:1979023

Rosenzweig, Bart ^[1]; Hoffmann, Norah M. ^[2];

^[3];

^[3]

City Univ. of New York (CUNY), NY (United States); Rutgers Univ., Piscataway, NJ (United States)
Columbia Univ., New York, NY (United States)
Rutgers University, Newark, NJ (United States)

Simulating photon dynamics in strong light–matter coupling situations via classical trajectories is proving to be powerful and practical. Here, in this work, we analyze the performance of the approach through the lens of the exact factorization approach. Since the exact factorization enables a rigorous definition of the potentials driving the photonic motion, it allows us to identify that the underestimation of photon number and intensities observed in earlier work is primarily due to an inadequate accounting of light–matter correlation in the classical Ehrenfest force rather than errors from treating the photons quasiclassically per se. The latter becomes problematic when the number of photons per mode begins to exceed a half.

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Research Organization:: Rutgers Univ., Piscataway, NJ (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); National Science Foundation (NSF)

Grant/Contract Number:: SC0020044

OSTI ID:: 1979023

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 156; ISSN 0021-9606

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

Country of Publication:: United States

Language:: English

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