Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
Fuente:
arXiv
Saved in:
| Main Authors: | Hillenbrand, Christopher, Li, Jiachen, Zhu, Tianyu |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
by: Li, Jiachen, et al.
Published: (2024)
by: Li, Jiachen, 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)
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)
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
by: Li, Jiachen, et al.
Published: (2024)
by: Li, Jiachen, et al.
Published: (2024)
Unified Deep Learning Framework for Many-Body Quantum Chemistry via Green's Functions
by: Venturella, Christian, et al.
Published: (2024)
by: Venturella, Christian, et al.
Published: (2024)
Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation
by: Marie, Antoine, et al.
Published: (2024)
by: Marie, Antoine, et al.
Published: (2024)
Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
by: Li, Jiachen, et al.
Published: (2024)
by: Li, Jiachen, et al.
Published: (2024)
Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation
by: Marek, Štěpán, et al.
Published: (2025)
by: Marek, Štěpán, et al.
Published: (2025)
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)
Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
by: Tölle, Johannes, et al.
Published: (2025)
by: Tölle, Johannes, et al.
Published: (2025)
Linear Scaling Calculation of Atomic Forces and Energies with Machine Learning Local Density Matrix
by: Xin, Zaizhou, et al.
Published: (2025)
by: Xin, Zaizhou, et al.
Published: (2025)
A Guide to Molecular Properties from the Bethe-Salpeter Equation
by: Holzer, Christof, et al.
Published: (2025)
by: Holzer, Christof, 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)
Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
by: Venturella, Christian, et al.
Published: (2026)
by: Venturella, Christian, et al.
Published: (2026)
Optical line shapes of color centers in solids from classical autocorrelation functions
by: Linderälv, Christopher, et al.
Published: (2024)
by: Linderälv, Christopher, et al.
Published: (2024)
Prediction of Frequency-Dependent Optical Spectrum for Solid Materials: A Multi-Output & Multi-Fidelity Machine Learning Approach
by: Ibrahim, Akram, et al.
Published: (2024)
by: Ibrahim, Akram, et al.
Published: (2024)
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)
SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations
by: Tian, Tian, et al.
Published: (2024)
by: Tian, Tian, et al.
Published: (2024)
Combining the Maximum Overlap Method with Multiwavelets for Core-Ionisation Energy Calculations
by: Göllmann, Niklas, et al.
Published: (2025)
by: Göllmann, Niklas, et al.
Published: (2025)
Fast and Scalable GPU-Accelerated Quantum Chemistry for Periodic Systems with Gaussian Orbitals: Implementation and Hybrid Density Functional Theory Calculations
by: Wang, Yuanheng, et al.
Published: (2024)
by: Wang, Yuanheng, et al.
Published: (2024)
Designing Optically Addressable Nitrogen-Vacancy Centers in Ultra-Small Nanodiamonds: Insights from First-Principles Calculations
by: Kundu, Arpan, et al.
Published: (2024)
by: Kundu, Arpan, 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)
Machine Learning Accelerated Computational Surface-Specific Vibrational Spectroscopy Reveals Oxidation Level of Graphene in Contact with Water
by: Du, Xianglong, et al.
Published: (2025)
by: Du, Xianglong, et al.
Published: (2025)
Optical absorption spectroscopy probes water wire and its ordering in a hydrogen-bond network
by: Tang, Fujie, et al.
Published: (2024)
by: Tang, Fujie, et al.
Published: (2024)
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)
Stochastic Cluster Expansion for Excited State Energies
by: Canestraight, Annabelle, et al.
Published: (2026)
by: Canestraight, Annabelle, et al.
Published: (2026)
Implementation of the multigrid Gaussian-Plane-Wave algorithm with GPU acceleration in PySCF
by: Li, Rui, et al.
Published: (2026)
by: Li, Rui, et al.
Published: (2026)
Energy Window Muffin Tin Orbitals (EWMTO) and Energy Window Linear Muffin Tin orbitals (EWLMTO) within the Atomic Sphere Approximation (ASA)
by: Goldstein, Garry
Published: (2024)
by: Goldstein, Garry
Published: (2024)
Ultrafast Heating Induced Suppression of $d$-band Dominance in the Electronic Excitation Spectrum of Cuprum
by: Moldabekov, Zhandos, et al.
Published: (2024)
by: Moldabekov, Zhandos, et al.
Published: (2024)
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)
GW space-time method: Energy band-gap of solid hydrogen
by: Azadi, Sam, et al.
Published: (2020)
by: Azadi, Sam, et al.
Published: (2020)
Understanding How Synthetic Impurities Affect Glyphosate Solubility and Crystal Growth Using Free Energy Calculations and Molecular Dynamics Simulations
by: Castro, Alejandro, et al.
Published: (2025)
by: Castro, Alejandro, et al.
Published: (2025)
Path Dependence in Alchemical Calculations of Water Chemical Potential in Aqueous Electrolytes
by: Kacirani, Arlind, et al.
Published: (2026)
by: Kacirani, Arlind, et al.
Published: (2026)
Optical properties and exciton transfer between N-heterocyclic carbene iridium (III) complexes for blue light-emitting diode applications from first principles
by: Lebedeva, Irina V., et al.
Published: (2023)
by: Lebedeva, Irina V., et al.
Published: (2023)
Efficient real space formalism for hybrid density functionals
by: Jing, Xin, et al.
Published: (2024)
by: Jing, Xin, et al.
Published: (2024)
Efficient method for calculation of low-temperature phase boundaries
by: Svensson, Lucas, et al.
Published: (2026)
by: Svensson, Lucas, et al.
Published: (2026)
Random Phase Approximation Correlation Energy using Real-Space Density Functional Perturbation Theory
by: Zhang, Boqin, et al.
Published: (2025)
by: Zhang, Boqin, et al.
Published: (2025)
Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics
by: Spirande, Ekaterina, et al.
Published: (2025)
by: Spirande, Ekaterina, et al.
Published: (2025)
Symmetry- and Gradient-enhanced Gaussian Process Regression for the Active Learning of Potential Energy Surfaces in Porous Materials
by: Krondorfer, Johannes K., et al.
Published: (2025)
by: Krondorfer, Johannes K., et al.
Published: (2025)
Nanoscale and Element-Specific Lattice Temperature Measurements using Core-Loss Electron Energy-Loss Spectroscopy
by: Palmer, Levi D., et al.
Published: (2024)
by: Palmer, Levi D., et al.
Published: (2024)
Similar Items
-
Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
by: Li, Jiachen, 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) -
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) -
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
by: Li, Jiachen, et al.
Published: (2024) -
Unified Deep Learning Framework for Many-Body Quantum Chemistry via Green's Functions
by: Venturella, Christian, et al.
Published: (2024)