Publications

Publications of A. Kelly

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Journal Article (5)

2021
Journal Article
Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics
G. Albareda Piquer, K. Lively, S. Sato, A. Kelly, A. Rubio
Journal of Chemical Theory and Computation 17 (12), 7321–7340 (2021)
MPG.PuRe
DOI
publisher-version
Journal Article
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
K. Lively, G. Albareda Piquer, S. Sato, A. Kelly, A. Rubio
The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021)
MPG.PuRe
DOI
publisher-version
supplementary-material
2019
Journal Article
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, A. Kelly
The Journal of Chemical Physics 151 (24), 244113 (2019)
MPG.PuRe
DOI
publisher-version
Journal Article
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, H. Appel
Physical Review A 99 (6), 063819 (2019)
MPG.PuRe
DOI
publisher-version
Journal Article
Nonadiabatic quantum dynamics without potential energy surfaces
G. Albareda Piquer, A. Kelly, A. Rubio
Physical Review Materials 3 (2), 023803 (2019)
MPG.PuRe
DOI
publisher-version
supplementary-material
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