Copertina

Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Marek, Štěpán, Wilhelm, Jan
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Computational Physics Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Optical excitations in nanographenes from the Bethe-Salpeter equation and time-dependent density functional theory: absorption spectra and spatial descriptors
di: Graml, Maximilian, et al.
Pubblicazione: (2025)

Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
di: Hillenbrand, Christopher, et al.
Pubblicazione: (2024)

A Guide to Molecular Properties from the Bethe-Salpeter Equation
di: Holzer, Christof, et al.
Pubblicazione: (2025)

Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
di: Tölle, Johannes, et al.
Pubblicazione: (2025)

Transfer learning of GW-Bethe-Salpeter Equation excitation energies
di: Baum, Dario, et al.
Pubblicazione: (2025)

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

GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
di: Yu, Victor Wen-zhe, et al.
Pubblicazione: (2024)

Calculation and analysis of exciton couplings via a subsystem formulation of the $GW$-Bethe-Salpeter Equation
di: Khandavilli, Sarathchandra, et al.
Pubblicazione: (2025)

Computation of the expectation value of the spin operator $\hat{S}^2$ for the Spin-Flip Bethe-Salpeter Equation
di: Barker, Bradford A., et al.
Pubblicazione: (2024)

Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
di: Wen, Ming, et al.
Pubblicazione: (2026)

Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
di: Marie, Antoine, et al.
Pubblicazione: (2024)

Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
di: Singh, Aditi, et al.
Pubblicazione: (2026)

Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation using Real-Time TDDFT
di: Boyer, Nicholas J., et al.
Pubblicazione: (2024)

Enhancing Density Functional Theory for Static Correlation in Large Molecules
di: Gibney, Daniel, et al.
Pubblicazione: (2024)

An electrical molecular motor driven by angular momentum transfer
di: Skolaut, Julian, et al.
Pubblicazione: (2025)

Helical orbitals in electrical uni-directional molecular motors
di: Marek, Štěpán, et al.
Pubblicazione: (2025)

Femtosecond Temporal Phase-Resolved Nonlinear Optical Spectroscopy in Molecules with Lock-in Enabled Phase Tracking
di: Pandey, Siddhant, et al.
Pubblicazione: (2025)

Linear Analysis of Stochastic Verlet-Type Integrators for Langevin Equations
di: Grønbech-Jensen, Niels
Pubblicazione: (2025)

Optically Addressing Circularly-Polarized Vibrations in Molecules
di: Lin, Chientzu, et al.
Pubblicazione: (2025)

Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
di: Jensen, Phillip W. K., et al.
Pubblicazione: (2023)

Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
di: Wang, Ruisi, et al.
Pubblicazione: (2025)

Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
di: Ofstad, Benedicte Sverdrup, et al.
Pubblicazione: (2023)

Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
di: Mejía, Leopoldo, et al.
Pubblicazione: (2023)

On the Nonlinear Excitation of Phononic Frequency Combs in Molecules
di: Lei, Hongbin, et al.
Pubblicazione: (2024)

Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential
di: Parsanasab, Mohammadjavad, et al.
Pubblicazione: (2026)

A Global Spacetime Optimization Approach to the Real-Space Time-Dependent Schrödinger Equation
di: Hou, Enze, et al.
Pubblicazione: (2025)

The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
di: Cook, Lauren E., et al.
Pubblicazione: (2025)

Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
di: Sukurma, Z., et al.
Pubblicazione: (2023)

Enhancing Accuracy and Feature Insights in Hydration Free Energy Predictions for Small Molecules with Machine Learning
di: Han, Mingjun, et al.
Pubblicazione: (2024)

Enhancing the Efficiency of Time-Dependent Density Functional Theory Calculations of Dynamic Response Properties
di: Moldabekov, Zhandos A., et al.
Pubblicazione: (2025)

Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics
di: Yu, Junting, et al.
Pubblicazione: (2026)

CH$_4$ and CO$_2$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties
di: Aligayev, A., et al.
Pubblicazione: (2023)

Quantum Solvers for Nonlinear Matrix Equations in Quantum Chemistry
di: Rodenas-Ruiz, Pablo, et al.
Pubblicazione: (2026)

Optical Cycling and Sensitivity to the Electron's Electric Dipole Moment in Gold-Containing Molecules
di: Stuntz, K. Cooper, et al.
Pubblicazione: (2024)

Geometric Phase Effect in Thermodynamic Properties and in the Imaginary-Time Multi-Electronic-State Path Integral Formulation
di: Zhai, Yu, et al.
Pubblicazione: (2026)

Mapping the Optical Landscape of a Squaraine Molecule in the Visible and Ultraviolet Energy Range
di: Taghizade, Narges, et al.
Pubblicazione: (2025)

Theory for Entangled-Photons Stimulated Raman Scattering versus Nonlinear Absorption for Polyatomic Molecules
di: Zhang, Mingran, et al.
Pubblicazione: (2026)

SchrödingerNet: A Universal Neural Network Solver for The Schrödinger Equation
di: Zhang, Yaolong, et al.
Pubblicazione: (2024)

Discovering Reaction Mechanisms with Transition Path Sampling-Based Active Learning of Machine-Learned Potentials
di: Lal, Ashique, et al.
Pubblicazione: (2026)

Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation
di: Jiang, Du, et al.
Pubblicazione: (2025)