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Journal Articles

Quantum electrodynamics formulation of multidimensional spectroscopy

Open Access
Frank Schlawin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174111 (2025)
https://doi.org/10.1063/5.0267953
Published: May 2025
View articletitled, Quantum electrodynamics formulation of multidimensional spectroscopy
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Journal Articles

Optical-cavity manipulation strategies of singlet fission systems mediated by conical intersections: Insights from fully quantum simulations

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Kewei Sun, Maxim F. Gelin, Kaijun Shen, Yang Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 130902 (2025)
https://doi.org/10.1063/5.0254436
Published: April 2025
View articletitled, Optical-cavity manipulation strategies of singlet fission systems mediated by conical intersections: Insights from fully quantum simulations
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Journal Articles

Hamiltonian non-Hermicity: Accurate dynamics with the multiple Davydov D2 Ansätze

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Lixing Zhang, Kaijun Shen, Yiying Yan, Kewei Sun, Maxim F. Gelin, Yang Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194108 (2024)
https://doi.org/10.1063/5.0243861
Published: November 2024
View articletitled, Hamiltonian non-Hermicity: Accurate dynamics with the multiple Davydov D2 Ansätze
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Journal Articles

Perturbative analysis of the coherent state transformation in ab initio cavity quantum electrodynamics

Editor’s PickOpen Access
Peyton Roden, Jonathan J. Foley, IV
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194103 (2024)
https://doi.org/10.1063/5.0233717
Published: November 2024
View articletitled, Perturbative analysis of the coherent state transformation in ab initio cavity quantum electrodynamics
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Journal Articles

General theory of cavity-mediated interactions between low-energy matter excitations

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Carlos J. Sánchez Martínez, Frieder Lindel, Francisco J. García-Vidal, Johannes Feist
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194303 (2024)
https://doi.org/10.1063/5.0231058
Published: November 2024
View articletitled, General theory of cavity-mediated interactions between low-energy matter excitations
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Journal Articles

Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation

Open Access
Liam J. Bond, Bas Gerritsen, Jiří Minář, Jeremy T. Young, Johannes Schachenmayer, Arghavan Safavi-Naini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184113 (2024)
https://doi.org/10.1063/5.0226268
Published: November 2024
View articletitled, Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation
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Journal Articles

Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling

Open Access
Ruby Manderna, Nam Vu, Jonathan J. Foley, IV
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174105 (2024)
https://doi.org/10.1063/5.0230565
Published: November 2024
View articletitled, Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling
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Journal Articles

Environment-mediated long-ranged correlations in many-body system

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Meng Xu, J. T. Stockburger, J. Ankerhold
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124105 (2024)
https://doi.org/10.1063/5.0225375
Published: September 2024
View articletitled, Environment-mediated long-ranged correlations in many-body system
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Journal Articles

Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics

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Shreyas Malpathak, Nandini Ananth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094110 (2024)
https://doi.org/10.1063/5.0223187
Published: September 2024
View articletitled, Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics
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Journal Articles

Full wave function cloning for improving convergence of the multiconfigurational Ehrenfest method: Tests in the zero-temperature spin-boson model regime

Open Access
Ryan Brook, Christopher Symonds, Dmitrii V. Shalashilin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064102 (2024)
https://doi.org/10.1063/5.0221184
Published: August 2024
View articletitled, Full wave function cloning for improving convergence of the multiconfigurational Ehrenfest method: Tests in the zero-temperature spin-boson model regime
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Journal Articles

Sequence and gelation in supramolecular polymers

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Christopher Balzer, Glenn H. Fredrickson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054907 (2024)
https://doi.org/10.1063/5.0218748
Published: August 2024
View articletitled, Sequence and gelation in supramolecular polymers
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Journal Articles

Extending the Tavis–Cummings model for molecular ensembles—Exploring the effects of dipole self-energies and static dipole moments

Open Access
Lucas Borges, Thomas Schnappinger, Markus Kowalewski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044119 (2024)
https://doi.org/10.1063/5.0214362
Published: July 2024
View articletitled, Extending the Tavis–Cummings model for molecular ensembles—Exploring the effects of dipole self-energies and static dipole moments
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Journal Articles

A time averaged semiclassical approach to IR spectroscopy

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Cecilia Lanzi, Chiara Aieta, Michele Ceotto, Riccardo Conte
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214107 (2024)
https://doi.org/10.1063/5.0214037
Published: June 2024
View articletitled, A time averaged semiclassical approach to IR spectroscopy
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Journal Articles

Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations

Open Access
Dmitry V. Makhov, Lewis Hutton, Adam Kirrander, Dmitrii V. Shalashilin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164310 (2024)
https://doi.org/10.1063/5.0203683
Published: April 2024
View articletitled, Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations
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Journal Articles

Dynamics of a strongly coupled quantum heat engine—Computing bath observables from the hierarchy of pure states

Open Access
Valentin Boettcher, Richard Hartmann, Konstantin Beyer, Walter T. Strunz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094108 (2024)
https://doi.org/10.1063/5.0192075
Published: March 2024
View articletitled, Dynamics of a strongly coupled quantum heat engine—Computing bath observables from the hierarchy of pure states
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Journal Articles

A quantum trajectory picture of single photon absorption and energy transport in photosystem II

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Robert L. Cook, Liwen Ko, K. Birgitta Whaley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 134108 (2023)
https://doi.org/10.1063/5.0168631
Published: October 2023
View articletitled, A quantum trajectory picture of single photon absorption and energy transport in photosystem II
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Journal Articles

Dynamics of dissipative Landau–Zener transitions in an anisotropic three-level system

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Lixing Zhang, Lu Wang, Maxim F. Gelin, Yang Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204115 (2023)
https://doi.org/10.1063/5.0150284
Published: May 2023
View articletitled, Dynamics of dissipative Landau–Zener transitions in an anisotropic three-level system
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Includes: Supplementary data
Journal Articles

Nuclear spin diffusion under fast magic-angle spinning in solid-state NMR

Editor’s PickOpen Access
Ben P. Tatman, W. Trent Franks, Steven P. Brown, Józef R. Lewandowski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 184201 (2023)
https://doi.org/10.1063/5.0142201
Published: May 2023
View articletitled, Nuclear spin diffusion under fast magic-angle spinning in solid-state NMR
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Includes: Supplementary data
Journal Articles

Variational theory of angulons and their rotational spectroscopy

Open Access
Zhongda Zeng, Enderalp Yakaboylu, Mikhail Lemeshko, Tao Shi, Richard Schmidt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134301 (2023)
https://doi.org/10.1063/5.0135893
Published: April 2023
View articletitled, Variational theory of angulons and their rotational spectroscopy
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Journal Articles

Dynamics of the spin-boson model: The effect of bath initial conditions

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Lipeng Chen, Yiying Yan, Maxim F. Gelin, Zhiguo Lü
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 104109 (2023)
https://doi.org/10.1063/5.0138399
Published: March 2023
View articletitled, Dynamics of the spin-boson model: The effect of bath initial conditions
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