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में बचाया:

ग्रंथसूची विवरण
मुख्य लेखकों:	Marek, Štěpán, Wilhelm, Jan
स्वरूप:	Preprint
प्रकाशित:	2025
विषय:	Computational Physics Chemical Physics
ऑनलाइन पहुंच:	https://arxiv.org/abs/2507.21279
टैग:	टैग जोड़ें कोई टैग नहीं, इस रिकॉर्ड को टैग करने वाले पहले व्यक्ति बनें!

समान संसाधन

Optical excitations in nanographenes from the Bethe-Salpeter equation and time-dependent density functional theory: absorption spectra and spatial descriptors
द्वारा: Graml, Maximilian, और अन्य
प्रकाशित: (2025)

Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
द्वारा: Hillenbrand, Christopher, और अन्य
प्रकाशित: (2024)

A Guide to Molecular Properties from the Bethe-Salpeter Equation
द्वारा: Holzer, Christof, और अन्य
प्रकाशित: (2025)

Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
द्वारा: Tölle, Johannes, और अन्य
प्रकाशित: (2025)

Transfer learning of GW-Bethe-Salpeter Equation excitation energies
द्वारा: Baum, Dario, और अन्य
प्रकाशित: (2025)

Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
द्वारा: Himmelsbach, Paula, और अन्य
प्रकाशित: (2024)

GPU-Accelerated Solution of the Bethe-Salpeter Equation for Large and Heterogeneous Systems
द्वारा: Yu, Victor Wen-zhe, और अन्य
प्रकाशित: (2024)

Calculation and analysis of exciton couplings via a subsystem formulation of the $GW$-Bethe-Salpeter Equation
द्वारा: Khandavilli, Sarathchandra, और अन्य
प्रकाशित: (2025)

Computation of the expectation value of the spin operator $\hat{S}^2$ for the Spin-Flip Bethe-Salpeter Equation
द्वारा: Barker, Bradford A., और अन्य
प्रकाशित: (2024)

Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
द्वारा: Marie, Antoine, और अन्य
प्रकाशित: (2024)

Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
द्वारा: Wen, Ming, और अन्य
प्रकाशित: (2026)

Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
द्वारा: Singh, Aditi, और अन्य
प्रकाशित: (2026)

An electrical molecular motor driven by angular momentum transfer
द्वारा: Skolaut, Julian, और अन्य
प्रकाशित: (2025)

Helical orbitals in electrical uni-directional molecular motors
द्वारा: Marek, Štěpán, और अन्य
प्रकाशित: (2025)

Enhancing Density Functional Theory for Static Correlation in Large Molecules
द्वारा: Gibney, Daniel, और अन्य
प्रकाशित: (2024)

Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation using Real-Time TDDFT
द्वारा: Boyer, Nicholas J., और अन्य
प्रकाशित: (2024)

Femtosecond Temporal Phase-Resolved Nonlinear Optical Spectroscopy in Molecules with Lock-in Enabled Phase Tracking
द्वारा: Pandey, Siddhant, और अन्य
प्रकाशित: (2025)

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

Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
द्वारा: Jensen, Phillip W. K., और अन्य
प्रकाशित: (2023)

A Global Spacetime Optimization Approach to the Real-Space Time-Dependent Schrödinger Equation
द्वारा: Hou, Enze, और अन्य
प्रकाशित: (2025)

Optically Addressing Circularly-Polarized Vibrations in Molecules
द्वारा: Lin, Chientzu, और अन्य
प्रकाशित: (2025)

On the Nonlinear Excitation of Phononic Frequency Combs in Molecules
द्वारा: Lei, Hongbin, और अन्य
प्रकाशित: (2024)

Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
द्वारा: Wang, Ruisi, और अन्य
प्रकाशित: (2025)

Magnetic Optical Rotation from Real-Time Simulations in Finite Magnetic Fields
द्वारा: Ofstad, Benedicte Sverdrup, और अन्य
प्रकाशित: (2023)

Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential
द्वारा: Parsanasab, Mohammadjavad, और अन्य
प्रकाशित: (2026)

Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
द्वारा: Mejía, Leopoldo, और अन्य
प्रकाशित: (2023)

The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
द्वारा: Cook, Lauren E., और अन्य
प्रकाशित: (2025)

Enhancing the Efficiency of Time-Dependent Density Functional Theory Calculations of Dynamic Response Properties
द्वारा: Moldabekov, Zhandos A., और अन्य
प्रकाशित: (2025)

Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
द्वारा: Sukurma, Z., और अन्य
प्रकाशित: (2023)

CH$_4$ and CO$_2$ Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties
द्वारा: Aligayev, A., और अन्य
प्रकाशित: (2023)

Enhancing Accuracy and Feature Insights in Hydration Free Energy Predictions for Small Molecules with Machine Learning
द्वारा: Han, Mingjun, और अन्य
प्रकाशित: (2024)

Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics
द्वारा: Yu, Junting, और अन्य
प्रकाशित: (2026)

Quantum Solvers for Nonlinear Matrix Equations in Quantum Chemistry
द्वारा: Rodenas-Ruiz, Pablo, और अन्य
प्रकाशित: (2026)

Optical Cycling and Sensitivity to the Electron's Electric Dipole Moment in Gold-Containing Molecules
द्वारा: Stuntz, K. Cooper, और अन्य
प्रकाशित: (2024)

Time-Heterogeneity of the Förster Radius from Dipole Orientational Dynamics Impacts Single-Molecule FRET Experiments
द्वारा: Frost, David, और अन्य
प्रकाशित: (2024)

Geometric Phase Effect in Thermodynamic Properties and in the Imaginary-Time Multi-Electronic-State Path Integral Formulation
द्वारा: Zhai, Yu, और अन्य
प्रकाशित: (2026)

Theory for Entangled-Photons Stimulated Raman Scattering versus Nonlinear Absorption for Polyatomic Molecules
द्वारा: Zhang, Mingran, और अन्य
प्रकाशित: (2026)

Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
द्वारा: Bystrom, Kyle, और अन्य
प्रकाशित: (2023)

Mapping the Optical Landscape of a Squaraine Molecule in the Visible and Ultraviolet Energy Range
द्वारा: Taghizade, Narges, और अन्य
प्रकाशित: (2025)

SchrödingerNet: A Universal Neural Network Solver for The Schrödinger Equation
द्वारा: Zhang, Yaolong, और अन्य
प्रकाशित: (2024)