Copertina

Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton Transfer

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Dé, Brieuc Le, Huppert, Simon, Spezia, Riccardo, Chin, Alex W.
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics
di: Dé, Brieuc Le, et al.
Pubblicazione: (2024)

Excited-State Intramolecular Proton Transfer and Competing Pathways in 3-Hydroxychromone: A Non-adiabatic Dynamics Study
di: Nardi, Alessandro Nicola, et al.
Pubblicazione: (2026)

Managing Temperature in Open Quantum Systems Strongly Coupled with Structured Environments
di: Dé, Brieuc Le, et al.
Pubblicazione: (2024)

Advancements in the Design and Development of Organic Fluorophores for the Excited State Intramolecular Proton Transfer Phenomenon
di: Gargi Mishra, et al.
Pubblicazione: (2025)

Ab Initio Investigation of Intramolecular Charge Transfer States in DMABN by Calculation of Excited State X-ray Absorption Spectra
di: Datar, Avdhoot, et al.
Pubblicazione: (2023)

MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics
di: Lacroix, Thibaut, et al.
Pubblicazione: (2024)

Ultrafast Excited-State Energy Transfer in Phenylene Ethynylene Dendrimer: Quantum Dynamics with Tensor Network Method
di: Liu, Sisi, et al.
Pubblicazione: (2024)

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning Potentials
di: Plé, Thomas, et al.
Pubblicazione: (2022)

Quantum-Enhanced Sensing of Excited-State Dynamics with Correlated Photons
di: Fan, Jiahao Joel, et al.
Pubblicazione: (2025)

Accurate, full-dimensional computations of thousands of complex vibrational eigenstates with tree tensor network states
di: Larsson, Henrik R., et al.
Pubblicazione: (2026)

Liquid water under vibrational strong coupling: an extended cavity Born-Oppenheimer molecular dynamics study
di: Bowles, Jessica, et al.
Pubblicazione: (2024)

Accurate Computation of Quantum Excited States with Neural Networks
di: Pfau, David, et al.
Pubblicazione: (2023)

Enhanced Excited State Population and Coherence via Adiabatic Tunneling Ionization and Excitation
di: Yuen, Chi-Hong
Pubblicazione: (2025)

Reinforcement Learning Assisted Quantum Simulation of Many-Body Excited States and Real-Time Dynamics
di: Zhang, Jiaji, et al.
Pubblicazione: (2026)

High-Spin State Dynamics and Quintet-Mediated Emission in Intramolecular Singlet Fission
di: Grüne, Jeannine, et al.
Pubblicazione: (2024)

Intramolecular Singlet Fission Through a Coherently Coupled Excimer-like Intermediate
di: Patra, Sanjoy, et al.
Pubblicazione: (2025)

Dynamics of Protonated Oxalate from Machine-Learned Simulations and Experiment: Infrared Signatures, Proton Transfer Dynamics and Tunneling Splittings
di: Andreichev, Valerii, et al.
Pubblicazione: (2025)

Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
di: Dutta, Rishab, et al.
Pubblicazione: (2025)

The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
di: Eng, Julien, et al.
Pubblicazione: (2024)

Transferable Machine Learning Potential X-MACE for Excited States using Integrated DeepSets
di: Barrett, Rhyan, et al.
Pubblicazione: (2025)

EOM-fpCCSD: An Accurate Alternative to EOM-CCSD for Doubly Excited and Charge-Transfer States
di: Boguslawski, Katharina, et al.
Pubblicazione: (2026)

Excited-State Quantum Chemistry on Qumode-Based Processors via Variational Quantum Deflation
di: Jost, Marlon F., et al.
Pubblicazione: (2026)

The Q-AMOEBA (CF) Polarizable Potential
di: Mauger, Nastasia, et al.
Pubblicazione: (2025)

Hybrid QPE-Ansatz Strategy for Reliable Excited-State Variational Quantum Deflation
di: Ahn, Young Kyun, et al.
Pubblicazione: (2026)

Qubit Count Reduction by Orthogonally-Constrained Orbital Optimization for Variational Quantum Excited States Solvers
di: Bierman, Joel, et al.
Pubblicazione: (2023)

Interplay between Static and Dynamic Disorder: Contrasting Effects on Dark State Population inside a Cavity
di: Catuto, Robert F., et al.
Pubblicazione: (2025)

Neural Quantum Propagators for Driven-Dissipative Quantum Dynamics
di: Zhang, Jiaji, et al.
Pubblicazione: (2024)

Tracking Electron, Proton, and Solvent Motion in Proton-Coupled Electron Transfer with Ultrafast X-rays
di: Kahraman, Abdullah, et al.
Pubblicazione: (2025)

Electron Spin Dynamics of the Intersystem Crossing in Aminoanthraquinone Derivatives: The Spectral Telltale of Short Triplet Excited States
di: Wang, Ruilei, et al.
Pubblicazione: (2024)

Rapid Dissipative Ground State Preparation at Chemical Transition States
di: Watts, Thomas W., et al.
Pubblicazione: (2026)

QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets
di: Ullah, Arif, et al.
Pubblicazione: (2023)

Physics-Informed Neural Networks and Beyond: Enforcing Physical Constraints in Quantum Dissipative Dynamics
di: Ullah, Arif, et al.
Pubblicazione: (2024)

Quantum Tunneling Could Enable Proton Transfer Reactions on Titan
di: Longo, Henry W., et al.
Pubblicazione: (2024)

Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States
di: Tuckman, Harrison, et al.
Pubblicazione: (2023)

Aufbau Suppressed Coupled Cluster Theory for Doubly Excited States
di: Javed, Qasim, et al.
Pubblicazione: (2026)

Occupancy Extrapolation: Reaching Many Excited Electronic States from Ground State Calculations
di: Fan, Yichen, et al.
Pubblicazione: (2026)

Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
di: Širůček, Jakub, et al.
Pubblicazione: (2025)

Quantum Tunnelling Across Hydrogen Bonds: Proton--Deuteron Isotope Effects from a Cornell-Type Potential Model
di: Pathak, Krishna Kingkar
Pubblicazione: (2025)

Toward Quantum-Aware Machine Learning: Improved Prediction of Quantum Dissipative Dynamics via Complex Valued Neural Networks
di: Atif, Muhammad, et al.
Pubblicazione: (2026)

Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
di: Himmelsbach, Paula, et al.
Pubblicazione: (2024)