Guardado en:
| Autores principales: | Tu, Matisse Wei-Yuan, Gross, E. K. U. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2502.08247 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Non-adiabatic perturbation theory of the exact factorisation
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2025)
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2025)
Nuclear interference by electronic de-orthogonalisation
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2026)
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2026)
Attochemical control of nuclear motion despite fast electronic decoherence
por: Fransén, Lina, et al.
Publicado: (2025)
por: Fransén, Lina, et al.
Publicado: (2025)
A coupled-trajectory approach for decoherence, frustrated hops and internal consistency in surface hopping
por: Ibele, Lea M., et al.
Publicado: (2024)
por: Ibele, Lea M., et al.
Publicado: (2024)
Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
por: Li, Chen, et al.
Publicado: (2025)
por: Li, Chen, et al.
Publicado: (2025)
Exchange-correlation energy from Green's functions
por: Crisostomo, Steven, et al.
Publicado: (2024)
por: Crisostomo, Steven, et al.
Publicado: (2024)
On decoherence in surface hopping: the nonadiabaticity threshold
por: Runeson, Johan E.
Publicado: (2025)
por: Runeson, Johan E.
Publicado: (2025)
Systematic incorporation of nuclear quantum effects into atomistic simulations by smoothed trajectory analysis
por: Madarász, Ádám, et al.
Publicado: (2026)
por: Madarász, Ádám, et al.
Publicado: (2026)
Continuously tracked, stable, large excursion trajectories of dipolar coupled nuclear spins
por: Sahin, Ozgur, et al.
Publicado: (2022)
por: Sahin, Ozgur, et al.
Publicado: (2022)
Electron-to-nuclear spectral mapping via "Galton board" dynamic nuclear polarization
por: Pillai, Arjun, et al.
Publicado: (2021)
por: Pillai, Arjun, et al.
Publicado: (2021)
Two stage decoherence of optical phonons in long oligomers
por: Burin, Alexander L., et al.
Publicado: (2024)
por: Burin, Alexander L., et al.
Publicado: (2024)
Quantum entanglement from classical trajectories
por: Runeson, Johan E., et al.
Publicado: (2021)
por: Runeson, Johan E., et al.
Publicado: (2021)
Magnetic coupling between nuclear motion and nuclear spins in molecules
por: Diez, Matthias, et al.
Publicado: (2026)
por: Diez, Matthias, et al.
Publicado: (2026)
Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?
por: Scheidegger, Alan, et al.
Publicado: (2025)
por: Scheidegger, Alan, et al.
Publicado: (2025)
Full symmetry-breaking of electronic and nuclear dynamics for low attosecond resolution of electronic chirality
por: Xu, Tianlv, et al.
Publicado: (2026)
por: Xu, Tianlv, et al.
Publicado: (2026)
Including photoexcitation explicitly in trajectory-based nonadiabatic dynamics at no cost
por: Janoš, Jiří, et al.
Publicado: (2024)
por: Janoš, Jiří, et al.
Publicado: (2024)
Numerically exact quantum dynamics with tensor networks: Predicting the decoherence of interacting spin systems
por: Li, Tianchu, et al.
Publicado: (2025)
por: Li, Tianchu, et al.
Publicado: (2025)
Electronic decay process spectra including nuclear degrees of freedom
por: Riegel, Alexander, et al.
Publicado: (2021)
por: Riegel, Alexander, et al.
Publicado: (2021)
On the role of nuclear quantum effects on the stability of peptides
por: Shen, Jing, et al.
Publicado: (2025)
por: Shen, Jing, et al.
Publicado: (2025)
Fewest switches surface hopping with decoherence in the Marcus inverted regime: correct rates but wrong thermal populations
por: Nagda, Manas, et al.
Publicado: (2025)
por: Nagda, Manas, et al.
Publicado: (2025)
Extending numerical simulations in SIMPSON: Electron paramagnetic resonance, dynamic nuclear polarisation, propagator splitting, pulse transients, and quadrupolar cross terms
por: Goodwin, David L., et al.
Publicado: (2026)
por: Goodwin, David L., et al.
Publicado: (2026)
Two-dimensional electronic spectra from trajectory-based dynamics: pure-state Ehrenfest, spin-mapping, and mean classical path approaches
por: Lieberherr, Annina Z., et al.
Publicado: (2025)
por: Lieberherr, Annina Z., et al.
Publicado: (2025)
Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Electronic Structure Framework
por: Zaidi, Zain, et al.
Publicado: (2026)
por: Zaidi, Zain, et al.
Publicado: (2026)
Image Super-resolution Inspired Electron Density Prediction
por: Li, Chenghan, et al.
Publicado: (2024)
por: Li, Chenghan, et al.
Publicado: (2024)
Frozen Natural Orbitals based Equation-of-motion coupled-cluster singles, doubles and triples for Ionized, Double-Ionized, Electron Attached and Two-Electron Attached states
por: Manisha, et al.
Publicado: (2025)
por: Manisha, et al.
Publicado: (2025)
Observation of the distribution of nuclear magnetization in a molecule
por: Wilkins, S. G., et al.
Publicado: (2023)
por: Wilkins, S. G., et al.
Publicado: (2023)
Robust inversion of time-resolved data via forward-optimisation in a trajectory basis
por: Acheson, Kyle, et al.
Publicado: (2022)
por: Acheson, Kyle, et al.
Publicado: (2022)
Generative Latent Space Dynamics of Electron Density
por: Chiang, Yuan, et al.
Publicado: (2025)
por: Chiang, Yuan, et al.
Publicado: (2025)
Nuclear-Electronic Quantum Dynamics in a Plasmonic Nanocavity
por: Fetherolf, Jonathan H., et al.
Publicado: (2026)
por: Fetherolf, Jonathan H., et al.
Publicado: (2026)
Exact factorization of a many-body wavefunction beyond the electron-nuclear problem
por: Schürger, Peter, et al.
Publicado: (2026)
por: Schürger, Peter, et al.
Publicado: (2026)
Simulation of pulsed dynamic nuclear polarization in the steady state
por: Jegadeesan, Shebha Anandhi, et al.
Publicado: (2025)
por: Jegadeesan, Shebha Anandhi, et al.
Publicado: (2025)
Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals -- a trajectory surface hopping and XMS-CASPT2 perspective
por: Janoš, Jiří, et al.
Publicado: (2024)
por: Janoš, Jiří, et al.
Publicado: (2024)
Exploring exact-factorization-based trajectories for low-energy dynamics near a conical intersection
por: Ibele, Lea M., et al.
Publicado: (2024)
por: Ibele, Lea M., et al.
Publicado: (2024)
Nonadiabatic rare events from transition-path sampling of MASH trajectories
por: Ghamari, Danial, et al.
Publicado: (2026)
por: Ghamari, Danial, et al.
Publicado: (2026)
Conical Intersections and Electronic Momentum As Viewed From Phase Space Electronic Structure Theory
por: Duston, Titouan, et al.
Publicado: (2025)
por: Duston, Titouan, et al.
Publicado: (2025)
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
por: Delmas, Vincent, et al.
Publicado: (2025)
por: Delmas, Vincent, et al.
Publicado: (2025)
Analysis of divergent dynamics of exactly factorized electron-nuclear wavefunctions
por: Stetzler, Julian, et al.
Publicado: (2025)
por: Stetzler, Julian, et al.
Publicado: (2025)
Different perspectives on the exact factorization for photon-electron-nuclear systems
por: Magi, Claudia, et al.
Publicado: (2026)
por: Magi, Claudia, et al.
Publicado: (2026)
Anisotropic molecular photoemission dynamics: Interpreting and accounting for the nuclear motion
por: Desrier, Antoine, et al.
Publicado: (2024)
por: Desrier, Antoine, et al.
Publicado: (2024)
Predictions of the interfacial free energy along the coexistence line from single-state calculations
por: Sanchez-Burgos, Ignacio, et al.
Publicado: (2024)
por: Sanchez-Burgos, Ignacio, et al.
Publicado: (2024)
Ejemplares similares
-
Non-adiabatic perturbation theory of the exact factorisation
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2025) -
Nuclear interference by electronic de-orthogonalisation
por: Tu, Matisse Wei-Yuan, et al.
Publicado: (2026) -
Attochemical control of nuclear motion despite fast electronic decoherence
por: Fransén, Lina, et al.
Publicado: (2025) -
A coupled-trajectory approach for decoherence, frustrated hops and internal consistency in surface hopping
por: Ibele, Lea M., et al.
Publicado: (2024) -
Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
por: Li, Chen, et al.
Publicado: (2025)