Cover Image

Prediction of Fluorescence Quantum Yields using the Extended Thawed Gaussian Approximation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Wenzel, Michael, Mitric, Roland
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A Hardware-Native Realisation of Semi-Empirical Electronic Structure Theory on Field-Programmable Gate Arrays
by: Miao, Xincheng, et al.
Published: (2026)

Nonadiabatic excited-state dynamics and energy gradients in the framework of FMO-LC-TDDFTB
by: Einsele, Richard, et al.
Published: (2024)

A CASSCF/MRCI Trajectory Surface Hopping Simulation of the Photochemical Dynamics and the Gas Phase Ultrafast Electron Diffraction Patterns of Cyclobutanone
by: Miao, Xincheng, et al.
Published: (2024)

Exciton-Exciton and Exciton-Photon Annihilation in Polaritonic Systems
by: Philipp, Luca Nils, et al.
Published: (2026)

FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime
by: Einsele, Richard, et al.
Published: (2024)

Lineshapes in Pump-Probe Spectroscopy of Polaritons
by: Philipp, Luca Nils, et al.
Published: (2025)

DIALECT, a software package for exciton spectra and dynamics in large molecular assemblies from weak to strong light-matter coupling regimes
by: Einsele, Richard, et al.
Published: (2025)

Thawed Gaussian wavepacket dynamics with $Δ$-machine learned potentials
by: Gherib, Rami, et al.
Published: (2024)

Variational Adaptive Gaussian Decomposition: Scalable Quadrature-Free Time-Sliced Thawed Gaussian Dynamics
by: Sharma, Rahul, et al.
Published: (2026)

Thawed Gaussian wave packet dynamics: a critical assessment of three propagation schemes
by: Ryabinkin, Ilya G., et al.
Published: (2024)

Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?
by: Scheidegger, Alan, et al.
Published: (2025)

Anisotropic Photo-Physical Properties of Plexcitons in Strongly Coupled Metal-Organic Thin Films
by: Rödel, Maximilian, et al.
Published: (2024)

Efficient Machine Learning Approach for Yield Prediction in Chemical Reactions
by: Ghosh, Supratim, et al.
Published: (2025)

Probing plexciton dynamics with higher-order spectroscopy
by: Büttner, Simon, et al.
Published: (2025)

Mixed Quantum-Classical Dynamics Yields Anharmonic Rabi Oscillations
by: Hsieh, Ming-Hsiu, et al.
Published: (2025)

Vertex corrections to conductivity in the Holstein model: A numerical-analytical study
by: Janković, Veljko, et al.
Published: (2024)

Gaussians for Electronic and Rovibrational Quantum Dynamics
by: Woźniak, Aleksander P., et al.
Published: (2024)

Prediction of Activity Coefficients by Similarity-Based Imputation using Quantum-Chemical Descriptors
by: Hayer, Nicolas, et al.
Published: (2024)

Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)

Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
by: Erhart, Luca, et al.
Published: (2024)

Femtosecond Nonadiabatic Confinement of Molecular Dication Yield
by: Marante, Carlos, et al.
Published: (2026)

Teaching a Transformer to Think Like a Chemist: Predicting Nanocluster Stability
by: Palheta, João Marcos T., et al.
Published: (2025)

Efficient Random Phase Approximation for Diradicals
by: Shirazi, Reza G., et al.
Published: (2024)

Double-Layered Silica-Engineered Fluorescent Nanodiamonds for Catalytic Generation and Quantum Sensing of Active Radicals
by: Su, Jia, et al.
Published: (2025)

Modeling Reactions on the Solid-Liquid Interface With Next Generation Extended Lagrangian Quantum-Based Molecular Dynamics
by: Grove, Rae A. Corrigan, et al.
Published: (2025)

Extending GPU-Accelerated Gaussian Integrals in the TeraChem Software Package to f Type Orbitals: Implementation and Applications
by: Wang, Yuanheng, et al.
Published: (2024)

High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics
by: Andreichev, Valerii, et al.
Published: (2026)

Approximations of the Iterative Stockholder Analysis scheme using exponential basis functions
by: Cheng, YingXing, et al.
Published: (2024)

Solvent Effects on Triplet Yields in BODIPY-Based Photosensitizers
by: Escalante, Leonardo Coello, et al.
Published: (2026)

ExPUFFIN: Thermodynamic Consistent Viscosity Prediction in an Extended Path-Unifying Feed-Forward Interfaced Network
by: Rebello, Carine Menezes, et al.
Published: (2025)

Variationally Compressing Quantum Circuits to Approximate Nonadiabatic Molecular Quantum Dynamics
by: Courtney, Joshua M., et al.
Published: (2026)

Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
by: Yu, Jincheng, et al.
Published: (2024)

Competing excitonic couplings as origin of mimicked phase transitions in zinc-phthalocyanine single crystals
by: Schraut-May, Lisa, et al.
Published: (2025)

An Extended Mixed Quantum/Classical Approach for Quantitative Calculation of Complex Refractive Index
by: Mochida, Ian F., et al.
Published: (2025)

Model for Predicting Adsorption Isotherms and the Kinetics of Adsorption via Steepest-Entropy-Ascent Quantum Thermodynamics
by: Saldana-Robles, Adriana, et al.
Published: (2024)

Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
by: Cabral, Delmar G. A., et al.
Published: (2025)

Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
by: Mirón, Gonzalo Díaz, et al.
Published: (2024)

On-the-Fly Simulation of Two-Dimensional Fluorescence-Excitation Spectra
by: Pios, Sebastian V., et al.
Published: (2024)

Orbital Surface Hopping with an Electron Thermostat Yields Accurate Dynamics and Detailed Balance
by: Ma, Yongtao, et al.
Published: (2025)

Light-Matter Interactions Beyond the Dipole Approximation in Extended Systems Without Multipole Expansion
by: Dora, Rishabh, et al.
Published: (2026)