Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation
Fuente:
arXiv
Saved in:
| Main Authors: | Marek, Štěpán, Wilhelm, Jan |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Optical excitations in nanographenes from the Bethe-Salpeter equation and time-dependent density functional theory: absorption spectra and spatial descriptors
by: Graml, Maximilian, et al.
Published: (2025)
by: Graml, Maximilian, et al.
Published: (2025)
Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
by: Hillenbrand, Christopher, et al.
Published: (2024)
by: Hillenbrand, Christopher, et al.
Published: (2024)
A Guide to Molecular Properties from the Bethe-Salpeter Equation
by: Holzer, Christof, et al.
Published: (2025)
by: Holzer, Christof, et al.
Published: (2025)
Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
by: Tölle, Johannes, et al.
Published: (2025)
by: Tölle, Johannes, et al.
Published: (2025)
Transfer learning of GW-Bethe-Salpeter Equation excitation energies
by: Baum, Dario, et al.
Published: (2025)
by: Baum, Dario, et al.
Published: (2025)
Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
by: Himmelsbach, Paula, et al.
Published: (2024)
by: Himmelsbach, Paula, et al.
Published: (2024)
GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
by: Yu, Victor Wen-zhe, et al.
Published: (2024)
by: Yu, Victor Wen-zhe, et al.
Published: (2024)
Calculation and analysis of exciton couplings via a subsystem formulation of the $GW$-Bethe-Salpeter Equation
by: Khandavilli, Sarathchandra, et al.
Published: (2025)
by: Khandavilli, Sarathchandra, et al.
Published: (2025)
Computation of the expectation value of the spin operator $\hat{S}^2$ for the Spin-Flip Bethe-Salpeter Equation
by: Barker, Bradford A., et al.
Published: (2024)
by: Barker, Bradford A., et al.
Published: (2024)
Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
by: Wen, Ming, et al.
Published: (2026)
by: Wen, Ming, et al.
Published: (2026)
Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
by: Marie, Antoine, et al.
Published: (2024)
by: Marie, Antoine, et al.
Published: (2024)
Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
by: Singh, Aditi, et al.
Published: (2026)
by: Singh, Aditi, et al.
Published: (2026)
Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation using Real-Time TDDFT
by: Boyer, Nicholas J., et al.
Published: (2024)
by: Boyer, Nicholas J., et al.
Published: (2024)
Enhancing Density Functional Theory for Static Correlation in Large Molecules
by: Gibney, Daniel, et al.
Published: (2024)
by: Gibney, Daniel, et al.
Published: (2024)
An electrical molecular motor driven by angular momentum transfer
by: Skolaut, Julian, et al.
Published: (2025)
by: Skolaut, Julian, et al.
Published: (2025)
Helical orbitals in electrical uni-directional molecular motors
by: Marek, Štěpán, et al.
Published: (2025)
by: Marek, Štěpán, et al.
Published: (2025)
Femtosecond Temporal Phase-Resolved Nonlinear Optical Spectroscopy in Molecules with Lock-in Enabled Phase Tracking
by: Pandey, Siddhant, et al.
Published: (2025)
by: Pandey, Siddhant, et al.
Published: (2025)
Linear Analysis of Stochastic Verlet-Type Integrators for Langevin Equations
by: Grønbech-Jensen, Niels
Published: (2025)
by: Grønbech-Jensen, Niels
Published: (2025)
Optically Addressing Circularly-Polarized Vibrations in Molecules
by: Lin, Chientzu, et al.
Published: (2025)
by: Lin, Chientzu, et al.
Published: (2025)
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
by: Jensen, Phillip W. K., et al.
Published: (2023)
by: Jensen, Phillip W. K., et al.
Published: (2023)
Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
by: Wang, Ruisi, et al.
Published: (2025)
by: Wang, Ruisi, et al.
Published: (2025)
Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
by: Ofstad, Benedicte Sverdrup, et al.
Published: (2023)
by: Ofstad, Benedicte Sverdrup, et al.
Published: (2023)
Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
by: Mejía, Leopoldo, et al.
Published: (2023)
by: Mejía, Leopoldo, et al.
Published: (2023)
On the Nonlinear Excitation of Phononic Frequency Combs in Molecules
by: Lei, Hongbin, et al.
Published: (2024)
by: Lei, Hongbin, et al.
Published: (2024)
Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential
by: Parsanasab, Mohammadjavad, et al.
Published: (2026)
by: Parsanasab, Mohammadjavad, et al.
Published: (2026)
A Global Spacetime Optimization Approach to the Real-Space Time-Dependent Schrödinger Equation
by: Hou, Enze, et al.
Published: (2025)
by: Hou, Enze, et al.
Published: (2025)
The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
by: Cook, Lauren E., et al.
Published: (2025)
by: Cook, Lauren E., et al.
Published: (2025)
Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
by: Sukurma, Z., et al.
Published: (2023)
by: Sukurma, Z., et al.
Published: (2023)
Enhancing Accuracy and Feature Insights in Hydration Free Energy Predictions for Small Molecules with Machine Learning
by: Han, Mingjun, et al.
Published: (2024)
by: Han, Mingjun, et al.
Published: (2024)
Enhancing the Efficiency of Time-Dependent Density Functional Theory Calculations of Dynamic Response Properties
by: Moldabekov, Zhandos A., et al.
Published: (2025)
by: Moldabekov, Zhandos A., et al.
Published: (2025)
Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics
by: Yu, Junting, et al.
Published: (2026)
by: Yu, Junting, et al.
Published: (2026)
CH$_4$ and CO$_2$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties
by: Aligayev, A., et al.
Published: (2023)
by: Aligayev, A., et al.
Published: (2023)
Quantum Solvers for Nonlinear Matrix Equations in Quantum Chemistry
by: Rodenas-Ruiz, Pablo, et al.
Published: (2026)
by: Rodenas-Ruiz, Pablo, et al.
Published: (2026)
Optical Cycling and Sensitivity to the Electron's Electric Dipole Moment in Gold-Containing Molecules
by: Stuntz, K. Cooper, et al.
Published: (2024)
by: Stuntz, K. Cooper, et al.
Published: (2024)
Geometric Phase Effect in Thermodynamic Properties and in the Imaginary-Time Multi-Electronic-State Path Integral Formulation
by: Zhai, Yu, et al.
Published: (2026)
by: Zhai, Yu, et al.
Published: (2026)
Mapping the Optical Landscape of a Squaraine Molecule in the Visible and Ultraviolet Energy Range
by: Taghizade, Narges, et al.
Published: (2025)
by: Taghizade, Narges, et al.
Published: (2025)
Theory for Entangled-Photons Stimulated Raman Scattering versus Nonlinear Absorption for Polyatomic Molecules
by: Zhang, Mingran, et al.
Published: (2026)
by: Zhang, Mingran, et al.
Published: (2026)
SchrödingerNet: A Universal Neural Network Solver for The Schrödinger Equation
by: Zhang, Yaolong, et al.
Published: (2024)
by: Zhang, Yaolong, et al.
Published: (2024)
Discovering Reaction Mechanisms with Transition Path Sampling-Based Active Learning of Machine-Learned Potentials
by: Lal, Ashique, et al.
Published: (2026)
by: Lal, Ashique, et al.
Published: (2026)
Security Metrics for Nonlinear Optical Light Sources from Interferometric Field Reconstruction
by: Gan, Zijian, et al.
Published: (2026)
by: Gan, Zijian, et al.
Published: (2026)
Similar Items
-
Optical excitations in nanographenes from the Bethe-Salpeter equation and time-dependent density functional theory: absorption spectra and spatial descriptors
by: Graml, Maximilian, et al.
Published: (2025) -
Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
by: Hillenbrand, Christopher, et al.
Published: (2024) -
A Guide to Molecular Properties from the Bethe-Salpeter Equation
by: Holzer, Christof, et al.
Published: (2025) -
Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
by: Tölle, Johannes, et al.
Published: (2025) -
Transfer learning of GW-Bethe-Salpeter Equation excitation energies
by: Baum, Dario, et al.
Published: (2025)