Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
Fuente:
arXiv
Saved in:
| Main Authors: | Fábri, Csaba, Halász, Gábor J., Hofierka, Jaroslav, Cederbaum, Lorenz S., Vibók, Ágnes |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Impact of Cavity on Molecular Ionization Spectra
by: Fábri, Csaba, et al.
Published: (2023)
by: Fábri, Csaba, et al.
Published: (2023)
Nuclear Spin Isomers and the Pauli Principle in Polaritonic Chemistry
by: Fábri, Csaba, et al.
Published: (2026)
by: Fábri, Csaba, et al.
Published: (2026)
Classical and quantum light-induced non-adiabaticity in molecular systems
by: Fábri, Csaba, et al.
Published: (2024)
by: Fábri, Csaba, et al.
Published: (2024)
Controlling molecular dynamics by exciting atoms in a cavity
by: Csehi, András, et al.
Published: (2024)
by: Csehi, András, et al.
Published: (2024)
Coupling Polyatomic Molecules to Lossy Nanocavities: Lindblad versus Schrödinger description
by: Fábri, Csaba, et al.
Published: (2024)
by: Fábri, Csaba, et al.
Published: (2024)
Indirect probing of light-induced nonadiabatic dynamics in lossy nanocavities
by: Szabó, Krisztián, et al.
Published: (2025)
by: Szabó, Krisztián, et al.
Published: (2025)
Light-induced photodissociation on the lowest three electronic states of NaH molecule
by: Umarov, Otabek, et al.
Published: (2024)
by: Umarov, Otabek, et al.
Published: (2024)
Light-induced nonadiabatic photodissociation of the NaH molecule including electron-rotation coupling
by: Király, Zoltán, et al.
Published: (2026)
by: Király, Zoltán, et al.
Published: (2026)
Cooperative molecular structure in polaritonic and dark states
by: Cederbaum, Lorenz S.
Published: (2021)
by: Cederbaum, Lorenz S.
Published: (2021)
Stimulated emission of virtual photons: Energy transfer by light
by: Cederbaum, Lorenz S., et al.
Published: (2024)
by: Cederbaum, Lorenz S., et al.
Published: (2024)
Hitherto unrecognized intermolecular Coulombic decay mechanism in gases
by: Falkowski, Alan G., et al.
Published: (2026)
by: Falkowski, Alan G., et al.
Published: (2026)
Best practices for nonadiabatic molecular dynamics simulations
by: Prlj, Antonio, et al.
Published: (2025)
by: Prlj, Antonio, et al.
Published: (2025)
Manipulating nonadiabatic dynamics by plasmonic nanocavity
by: Wang, Yu, et al.
Published: (2025)
by: Wang, Yu, et al.
Published: (2025)
Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
by: Geuther, J. Amira, et al.
Published: (2024)
by: Geuther, J. Amira, et al.
Published: (2024)
Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Integrals for relativistic nonadiabatic energies of H$_2$ in exponential basis
by: Pachucki, Krzysztof, et al.
Published: (2024)
by: Pachucki, Krzysztof, et al.
Published: (2024)
Ultrafast nonadiabatic dynamics of tetraphenylsubstituted nitrogen-based heterocycles
by: Hernández-Rodríguez, Javier, et al.
Published: (2026)
by: Hernández-Rodríguez, Javier, et al.
Published: (2026)
Including photoexcitation explicitly in trajectory-based nonadiabatic dynamics at no cost
by: Janoš, Jiří, et al.
Published: (2024)
by: Janoš, Jiří, et al.
Published: (2024)
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
by: Delmas, Vincent, et al.
Published: (2025)
by: Delmas, Vincent, et al.
Published: (2025)
Extending the Tavis-Cummings model for molecular ensembles -- Exploring the effects of dipole self energies and static dipole moments
by: Borges, Lucas, et al.
Published: (2024)
by: Borges, Lucas, et al.
Published: (2024)
Towards a correct description of initial electronic coherence in nonadiabatic dynamics simulations
by: Mannouch, Jonathan R., et al.
Published: (2024)
by: Mannouch, Jonathan R., et al.
Published: (2024)
Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
by: Li, Jingjing, et al.
Published: (2025)
by: Li, Jingjing, et al.
Published: (2025)
Koopmon trajectories in nonadiabatic quantum-classical dynamics
by: Bauer, Werner, et al.
Published: (2023)
by: Bauer, Werner, et al.
Published: (2023)
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamics
by: Cook, Lauren E., et al.
Published: (2025)
by: Cook, Lauren E., et al.
Published: (2025)
Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation
by: Choi, Seonghoon, et al.
Published: (2019)
by: Choi, Seonghoon, et al.
Published: (2019)
Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation
by: Roulet, Julien, et al.
Published: (2019)
by: Roulet, Julien, et al.
Published: (2019)
On decoherence in surface hopping: the nonadiabaticity threshold
by: Runeson, Johan E.
Published: (2025)
by: Runeson, Johan E.
Published: (2025)
Exponential convergence of the local diabatic representation for nonadiabatic models
by: Sha, Mo, et al.
Published: (2025)
by: Sha, Mo, et al.
Published: (2025)
How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E$+$$σ$) dynamics
by: Chen, Jingqi, et al.
Published: (2024)
by: Chen, Jingqi, et al.
Published: (2024)
Computing linear optical spectra in the presence of nonadiabatic effects on Graphics Processing Units using molecular dynamics and tensor-network approaches
by: Lambertson, Evan, et al.
Published: (2024)
by: Lambertson, Evan, et al.
Published: (2024)
Many-body theory calculations of positron binding to parabenzoquinone
by: Gregg, S. K., et al.
Published: (2025)
by: Gregg, S. K., et al.
Published: (2025)
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
by: Tiefenbacher, Maximilian X., et al.
Published: (2025)
by: Tiefenbacher, Maximilian X., et al.
Published: (2025)
Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
by: Choi, Seonghoon, et al.
Published: (2020)
by: Choi, Seonghoon, et al.
Published: (2020)
Semiclassical Dynamics in Wigner Phase Space II : nonadiabatic Hybrid Wigner Dynamics
by: Malpathak, Shreyas, et al.
Published: (2024)
by: Malpathak, Shreyas, et al.
Published: (2024)
Computing solvation free energies of small molecules with experimental accuracy
by: Moore, J. Harry, et al.
Published: (2024)
by: Moore, J. Harry, et al.
Published: (2024)
Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
by: Sunaga, Ayaki, et al.
Published: (2025)
by: Sunaga, Ayaki, et al.
Published: (2025)
Many-body theory calculations of positronic-bonded molecular dianions
by: Cassidy, J. P., et al.
Published: (2023)
by: Cassidy, J. P., et al.
Published: (2023)
Enhancing energy transport utilising permanent molecular dipoles
by: Burgess, Adam, et al.
Published: (2025)
by: Burgess, Adam, et al.
Published: (2025)
Disorder-induced non-Gaussian states in large ensembles of cavity-coupled molecules
by: Schwengelbeck, R., et al.
Published: (2026)
by: Schwengelbeck, R., et al.
Published: (2026)
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
by: Atalar, Kemal, et al.
Published: (2024)
by: Atalar, Kemal, et al.
Published: (2024)
Similar Items
-
Impact of Cavity on Molecular Ionization Spectra
by: Fábri, Csaba, et al.
Published: (2023) -
Nuclear Spin Isomers and the Pauli Principle in Polaritonic Chemistry
by: Fábri, Csaba, et al.
Published: (2026) -
Classical and quantum light-induced non-adiabaticity in molecular systems
by: Fábri, Csaba, et al.
Published: (2024) -
Controlling molecular dynamics by exciting atoms in a cavity
by: Csehi, András, et al.
Published: (2024) -
Coupling Polyatomic Molecules to Lossy Nanocavities: Lindblad versus Schrödinger description
by: Fábri, Csaba, et al.
Published: (2024)