Imagen de Portada

Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Yuan, Xiang, Halbert, Loic, Visscher, Lucas, Gomes, Andre Severo Pereira
Formato:	Preprint
Publicado:	2023
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
por: Yuan, Xiang, et al.
Publicado: (2025)

Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
por: Yuan, Xiang, et al.
Publicado: (2023)

Relativistic Embedded Equation-of-Motion Coupled-Cluster Approach to the Core-Ionized States of Actinides: A Case Study of Uranyl(VI) in Cs$_2$UO$_2$Cl$_4$
por: Misael, Wilken Aldair, et al.
Publicado: (2024)

Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
por: Pathirage, P. D. Varuna S., et al.
Publicado: (2026)

Relativistic Core-Valence-Separated Molecular Mean-Field Exact-Two-Component Equation-of-Motion Coupled Cluster Theory: Applications to L-edge X-ray Absorption Spectroscopy
por: Banerjee, Samragni, et al.
Publicado: (2025)

A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential
por: Chamoli, Somesh, et al.
Publicado: (2025)

Relativistic Two-component Double Ionization Potential Equation-of-Motion Coupled Cluster with the Dirac--Coulomb--Breit Hamiltonian
por: Li, Run R., et al.
Publicado: (2025)

Report on the second Toulouse Tensor Workshop
por: Brandejs, Jan, et al.
Publicado: (2026)

Inclusion of Three-body Correction to Relativistic Equation-of-Motion Coupled Cluster Method: The Application to Electron Detachment Problem
por: Thapa, Mrinal, et al.
Publicado: (2026)

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

Reduced-cost Relativistic Equation-of-Motion Coupled Cluster Method based on Frozen Natural Spinors: A State-Specific Approach
por: Mukhopadhyay, Tamoghna, et al.
Publicado: (2025)

Robust Tensor Hypercontraction of the Particle-Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory
por: Datar, Avdhoot, et al.
Publicado: (2023)

Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
por: Chakraborty, Sudipta, et al.
Publicado: (2026)

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

Core excitations of uranyl in Cs$_{2}$UO$_{2}$Cl$_{4}$ from relativistic embedded damped-response time-dependent density functional theory calculations
por: Misael, Wilken Aldair, et al.
Publicado: (2023)

Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole--2-Particle Excitations and Three-Body Clusters
por: Mukhopadhyay, Tamoghna, et al.
Publicado: (2025)

Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
por: Krishnan, Aparna, et al.
Publicado: (2026)

Time-Dependent Coupled-Cluster Theory of Multireference Systems
por: Mosquera, Martín A.
Publicado: (2025)

Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory
por: Fabbro, Gabriele, et al.
Publicado: (2025)

Performant Automatic Differentiation of Local Coupled Cluster Theories: Response Properties and Ab Initio Molecular Dynamics
por: Zhang, Xing, et al.
Publicado: (2024)

Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry
por: Misael, Wilken Aldair, et al.
Publicado: (2025)

A perturbative triples correction to relativistic Quadratic Unitary Coupled Cluster Method: Theory, Implementation and Benchmarking
por: Majee, Kamal, et al.
Publicado: (2025)

Relativistic Two-Electron Contributions within Exact Two-Component Theory
por: Wang, Xubo, et al.
Publicado: (2025)

One-Body Properties and Their Perturbative Accuracy with Aufbau Suppressed Coupled Cluster Theory
por: Bready, Conor, et al.
Publicado: (2025)

Relativistic Exact-Two-Component Core-Valence-Separated Algebraic Diagrammatic Construction Theory For Near L-edge X-ray Absorption Spectra
por: Chamoli, Somesh, et al.
Publicado: (2026)

Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
por: Chen, Tianxiang, et al.
Publicado: (2024)

On the Functional Dependence of Transition-Potential Coupled Cluster
por: Delgado, Alexis A. A., et al.
Publicado: (2025)

qs$GW$ quasiparticle and $GW$-BSE excitation energies of 133,885 molecules
por: Baum, Dario, et al.
Publicado: (2025)

Predicting complete basis set limit quasiparticle energies from triple-$ζ$ calculations
por: Baum, Dario, et al.
Publicado: (2025)

Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
por: Konecny, Lukas, et al.
Publicado: (2024)

Unitary Coupled-Cluster based Self-Consistent Electron Propagator Theory for Electron-Detached and Electron-Attached States: A Quadratic Unitary Coupled-Cluster Singles and Doubles Method and Benchmark Calculations
por: Zhang, Yu, et al.
Publicado: (2025)

A Reduced Cost Four-Component Relativistic Unitary Coupled Cluster Method for Molecules
por: Majee, Kamal, et al.
Publicado: (2024)

Accelerating the Convergence of Higher-Order Coupled Cluster Methods II: Coupled Cluster $Λ$ Equations and Dynamic Damping
por: Matthews, Devin A.
Publicado: (2020)

Diagrammatic Simplification of Linearized Coupled Cluster Theory
por: Carter-Fenk, Kevin
Publicado: (2025)

Extension of the CC($P$;$Q$) Formalism to the Electron Attachment and Ionization Potential Equation-of-Motion Coupled-Cluster Frameworks
por: Gururangan, Karthik, et al.
Publicado: (2025)

MōLe-Λ: Learning the Coupled-Cluster Response State for Energies, Gradients, and Properties
por: Burger, Andreas, et al.
Publicado: (2026)

Double Ionization Potential Equation-of-Motion Coupled-Cluster Approach with Full Inclusion of 4-Hole-2-Particle Excitations and Three-Body Clusters
por: Gururangan, Karthik, et al.
Publicado: (2024)

Self-Adaptive Real-Time Time-Dependent Density Functional Theory for X-ray Absorptions
por: Ye, Linfeng, et al.
Publicado: (2022)

Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
por: B., Jessica A. Martinez, et al.
Publicado: (2024)

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