Imagen de Portada

Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Himmelsbach, Paula, Holzer, Christof
Formato:	Preprint
Publicado:	2024
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

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

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

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

Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation
por: Marek, Štěpán, et al.
Publicado: (2025)

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

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

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

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

State-Specific Coupled-Cluster Methods for Excited States
por: Damour, Yann, et al.
Publicado: (2024)

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

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

$^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies
por: Vohdin, Janina, et al.
Publicado: (2026)

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

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

A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches
por: Holzer, Christof, et al.
Publicado: (2024)

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

Semiclassical Spin Exchange via Temperature-Dependent Transition States
por: Mukherjee, Debaarjun, et al.
Publicado: (2025)

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

ExROPPP: Fast, Accurate and Spin-Pure Calculation of the Electronically Excited States of Organic Hydrocarbon Radicals
por: Green, James D., et al.
Publicado: (2023)

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

Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
por: Shen, Yang, et al.
Publicado: (2026)

Excited States from Restricted Open Shell Plane-Wave DFT
por: Sahre, Michael J., et al.
Publicado: (2026)

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration
por: Pu, Zhichen, et al.
Publicado: (2025)

Optimal-Reference Excited State Methods: Static Correlation at Polynomial Cost with Single-Reference Coupled-Cluster Approaches
por: Bintrim, Sylvia J., et al.
Publicado: (2025)

Ground and Excited States from Ensemble Variational Principles
por: Ding, Lexin, et al.
Publicado: (2024)

Learning Radical Excited States from Sparse Data
por: Shen, Jingkun, et al.
Publicado: (2024)

Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
por: Yang, Weitao, et al.
Publicado: (2024)

Excited State Densities from Time-Dependent Density Functional Response Theory
por: Baranova, Anna, et al.
Publicado: (2025)

A Mountaineering Strategy to Excited States: Accurate Vertical Transition Energies and Benchmarks for Substituted Benzenes
por: Loos, Pierre-François, et al.
Publicado: (2024)

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

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

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

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

Stochastic Cluster Expansion for Excited State Energies
por: Canestraight, Annabelle, et al.
Publicado: (2026)

Current density functional framework for spin-orbit coupling: Extension to periodic systems
por: Franzke, Yannick J., et al.
Publicado: (2024)

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

Tracking the Electron Density Changes in Excited States -- A Computational Study on Pyrazine
por: Pios, Sebastian V., et al.
Publicado: (2024)

Fractional Charges, Linear Conditions and Chemical Potentials for Excited States in $ΔSCF$ Theory
por: Yang, Weitao, et al.
Publicado: (2024)

Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
por: Masteran, Conner, et al.
Publicado: (2025)

Extension of the CIPSI-Driven CC($P$;$Q$) Approach to Excited Electronic States
por: Priyadarsini, Swati S., et al.
Publicado: (2026)