Exact Potential Energy Surface for Molecules in Cavities
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1558697
- Grant/Contract Number:
- SC0015344
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Name: Physical Review Letters Journal Volume: 123 Journal Issue: 8; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Lacombe, Lionel, Hoffmann, Norah M., and Maitra, Neepa T. Exact Potential Energy Surface for Molecules in Cavities. United States: N. p., 2019.
Web. doi:10.1103/PhysRevLett.123.083201.
Lacombe, Lionel, Hoffmann, Norah M., & Maitra, Neepa T. Exact Potential Energy Surface for Molecules in Cavities. United States. doi:10.1103/PhysRevLett.123.083201.
Lacombe, Lionel, Hoffmann, Norah M., and Maitra, Neepa T. Thu .
"Exact Potential Energy Surface for Molecules in Cavities". United States. doi:10.1103/PhysRevLett.123.083201.
@article{osti_1558697,
title = {Exact Potential Energy Surface for Molecules in Cavities},
author = {Lacombe, Lionel and Hoffmann, Norah M. and Maitra, Neepa T.},
abstractNote = {},
doi = {10.1103/PhysRevLett.123.083201},
journal = {Physical Review Letters},
number = 8,
volume = 123,
place = {United States},
year = {2019},
month = {8}
}
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Publisher's Version of Record
DOI: 10.1103/PhysRevLett.123.083201
DOI: 10.1103/PhysRevLett.123.083201
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Works referenced in this record:
Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
journal, September 2010
- Abedi, Ali; Maitra, Neepa T.; Gross, E. K. U.
- Physical Review Letters, Vol. 105, Issue 12
Light-matter interactions via the exact factorization approach
journal, August 2018
- Hoffmann, Norah M.; Appel, Heiko; Rubio, Angel
- The European Physical Journal B, Vol. 91, Issue 8
On the relation between cavity-dressed states, Floquet states, RWA and semiclassical models
journal, October 1997
- Guérin, S.; Monti, F.; Dupont, J-M
- Journal of Physics A: Mathematical and General, Vol. 30, Issue 20
Surface hopping in laser-driven molecular dynamics
journal, June 2017
- Fiedlschuster, T.; Handt, J.; Gross, E. K. U.
- Physical Review A, Vol. 95, Issue 6
Description of Molecular Dynamics in Intense Laser Fields by the Time-Dependent Adiabatic State Approach: Application to Simultaneous Two-Bond Dissociation of CO 2 and Its Control
journal, July 2003
- Sato, Yukio; Kono, Hirohiko; Koseki, Shiro
- Journal of the American Chemical Society, Vol. 125, Issue 26
Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods
journal, April 2016
- Agostini, Federica; Min, Seung Kyu; Abedi, Ali
- Journal of Chemical Theory and Computation, Vol. 12, Issue 5
Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?
journal, December 2014
- Min, Seung Kyu; Abedi, Ali; Kim, Kwang S.
- Physical Review Letters, Vol. 113, Issue 26
Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction
journal, July 2018
- Gossel, Graeme H.; Agostini, Federica; Maitra, Neepa T.
- Journal of Chemical Theory and Computation, Vol. 14, Issue 9
Strong Light–Matter Interaction in Quantum Emitter/Metal Hybrid Nanostructures
journal, October 2017
- Vasa, Parinda; Lienau, Christoph
- ACS Photonics, Vol. 5, Issue 1
Dynamical Steps that Bridge Piecewise Adiabatic Shapes in the Exact Time-Dependent Potential Energy Surface
journal, June 2013
- Abedi, Ali; Agostini, Federica; Suzuki, Yasumitsu
- Physical Review Letters, Vol. 110, Issue 26
From a quantum-electrodynamical light–matter description to novel spectroscopies
journal, March 2018
- Ruggenthaler, Michael; Tancogne-Dejean, Nicolas; Flick, Johannes
- Nature Reviews Chemistry, Vol. 2, Issue 3
Proton-coupled electron transfer reactions in solution: Molecular dynamics with quantum transitions for model systems
journal, May 1997
- Fang, Jian-Yun; Hammes-Schiffer, Sharon
- The Journal of Chemical Physics, Vol. 106, Issue 20
Novel Nanostructures and Materials for Strong Light–Matter Interactions
journal, October 2017
- Baranov, Denis G.; Wersäll, Martin; Cuadra, Jorge
- ACS Photonics, Vol. 5, Issue 1
Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory
journal, July 2014
- Ruggenthaler, Michael; Flick, Johannes; Pellegrini, Camilla
- Physical Review A, Vol. 90, Issue 1
Fragmentation due to centrifugal forces in the photodissociation of in intense laser fields
journal, September 2011
- Fischer, Michael; Lorenz, Ulf; Schmidt, Burkhard
- Physical Review A, Vol. 84, Issue 3
Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes
journal, August 2015
- Min, Seung Kyu; Agostini, Federica; Gross, E. K. U.
- Physical Review Letters, Vol. 115, Issue 7
Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence
journal, February 2018
- Ha, Jong-Kwon; Lee, In Seong; Min, Seung Kyu
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 5
Suppressing photochemical reactions with quantized light fields
journal, December 2016
- Galego, Javier; Garcia-Vidal, Francisco J.; Feist, Johannes
- Nature Communications, Vol. 7, Issue 1
On the numerical solution of the exact factorization equations
journal, April 2019
- Gossel, Graeme H.; Lacombe, Lionel; Maitra, Neepa T.
- The Journal of Chemical Physics, Vol. 150, Issue 15
Hybrid Light–Matter States in a Molecular and Material Science Perspective
journal, October 2016
- Ebbesen, Thomas W.
- Accounts of Chemical Research, Vol. 49, Issue 11
A semiclassical approach to intense‐field above‐threshold dissociation in the long wavelength limit
journal, September 1996
- Thachuk, Mark; Ivanov, M. Yu.; Wardlaw, David M.
- The Journal of Chemical Physics, Vol. 105, Issue 10
Conductivity in organic semiconductors hybridized with the vacuum field
journal, September 2015
- Orgiu, E.; George, J.; Hutchison, J. A.
- Nature Materials, Vol. 14, Issue 11
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
journal, March 2017
- Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 12
Manipulating molecules with quantum light
journal, March 2017
- Kowalewski, Markus; Mukamel, Shaul
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 13
Cavity-Controlled Chemistry in Molecular Ensembles
journal, June 2016
- Herrera, Felipe; Spano, Frank C.
- Physical Review Letters, Vol. 116, Issue 23
Polariton chemistry: controlling molecular dynamics with optical cavities
journal, January 2018
- Ribeiro, Raphael F.; Martínez-Martínez, Luis A.; Du, Matthew
- Chemical Science, Vol. 9, Issue 30
Superradiant Quantum Materials
journal, January 2019
- Mazza, Giacomo; Georges, Antoine
- Physical Review Letters, Vol. 122, Issue 1
Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors
journal, January 2019
- Filatov, Michael; Paolino, Marco; Min, Seung Kyu
- Chemical Communications, Vol. 55, Issue 36
Polaritonic Chemistry with Organic Molecules
journal, October 2017
- Feist, Johannes; Galego, Javier; Garcia-Vidal, Francisco J.
- ACS Photonics, Vol. 5, Issue 1
Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings
journal, May 2016
- Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 11
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone
journal, January 2019
- Filatov, Michael; Min, Seung Kyu; Choi, Cheol Ho
- Physical Chemistry Chemical Physics, Vol. 21, Issue 5
Plasmonic Cavity Coupling
journal, November 2017
- Hugall, James T.; Singh, Anshuman; van Hulst, Niek F.
- ACS Photonics, Vol. 5, Issue 1
Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence
journal, June 2017
- Min, Seung Kyu; Agostini, Federica; Tavernelli, Ivano
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 13
Nonadiabatic effects on the charge transfer rate constant: A numerical study of a simple model system
journal, June 1995
- Shin, Seokmin; Metiu, Horia
- The Journal of Chemical Physics, Vol. 102, Issue 23
Shedding light on correlated electron–photon states using the exact factorization
journal, August 2018
- Abedi, Ali; Khosravi, Elham; Tokatly, Ilya V.
- The European Physical Journal B, Vol. 91, Issue 8
The exact forces on classical nuclei in non-adiabatic charge transfer
journal, February 2015
- Agostini, Federica; Abedi, Ali; Suzuki, Yasumitsu
- The Journal of Chemical Physics, Vol. 142, Issue 8
Special Issue on “Strong Coupling of Molecules to Cavities”
journal, November 2017
- Barnes, Bill; García Vidal, Francisco; Aizpurua, Javier
- ACS Photonics, Vol. 5, Issue 1
Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems
journal, March 2017
- Flick, Johannes; Appel, Heiko; Ruggenthaler, Michael
- Journal of Chemical Theory and Computation, Vol. 13, Issue 4
Different flavors of nonadiabatic molecular dynamics
journal, April 2019
- Agostini, Federica; Curchod, Basile F. E.
- Wiley Interdisciplinary Reviews: Computational Molecular Science
Cavity-Induced Modifications of Molecular Structure in the Strong-Coupling Regime
journal, November 2015
- Galego, Javier; Garcia-Vidal, Francisco J.; Feist, Johannes
- Physical Review X, Vol. 5, Issue 4
Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry
journal, August 2017
- Luk, Hoi Ling; Feist, Johannes; Toppari, J. Jussi
- Journal of Chemical Theory and Computation, Vol. 13, Issue 9
Excited-State Molecular Dynamics Triggered by Light Pulses— Ab Initio Multiple Spawning vs Trajectory Surface Hopping
journal, March 2019
- Mignolet, Benoit; Curchod, Basile F. E.
- The Journal of Physical Chemistry A, Vol. 123, Issue 16
Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity
journal, November 2018
- Sentef, M. A.; Ruggenthaler, M.; Rubio, A.
- Science Advances, Vol. 4, Issue 11
Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions
journal, October 1997
- Fang, Jian-Yun; Hammes-Schiffer, Sharon
- The Journal of Chemical Physics, Vol. 107, Issue 15
Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry
journal, February 2019
- Schäfer, Christian; Ruggenthaler, Michael; Appel, Heiko
- Proceedings of the National Academy of Sciences, Vol. 116, Issue 11
Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
journal, December 2012
- Abedi, Ali; Maitra, Neepa T.; Gross, E. K. U.
- The Journal of Chemical Physics, Vol. 137, Issue 22
Time-Dependent Density Functional Theory for Many-Electron Systems Interacting with Cavity Photons
journal, June 2013
- Tokatly, I. V.
- Physical Review Letters, Vol. 110, Issue 23