Image de couverture de livre

Double Electron Attachment and Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with Full and Active-Space Treatments of 4-Particle-2-Hole and 4-Hole-2-Particle Excitations and Three-Body Clusters

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Shen, Jun, Gururangan, Karthik, Piecuch, Piotr
Format:	Preprint
Publié:	2026
Sujets:	Chemical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

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

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

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

Addressing Strong Correlation by Approximate Coupled-Pair Methods with Active-Space and Full Treatments of Three-Body Clusters
par: Magoulas, Ilias, et autres
Publié: (2021)

Extension of the Active-Orbital-Based and Adaptive CC($P$;$Q$) Approaches to Excited Electronic States: Application to Potential Cuts of Water
par: Gururangan, Karthik, et autres
Publié: (2024)

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

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

The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC($P$;$Q$) Study
par: Priyadarsini, Swati S., et autres
Publié: (2024)

Robust Tensor Hypercontraction of the Particle-Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory
par: Datar, Avdhoot, et autres
Publié: (2023)

A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential
par: Chamoli, Somesh, et autres
Publié: (2025)

Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
par: Yu, Jincheng, et autres
Publié: (2024)

Inclusion of Three-body Correction to Relativistic Equation-of-Motion Coupled Cluster Method: The Application to Electron Detachment Problem
par: Thapa, Mrinal, et autres
Publié: (2026)

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$_4$
par: Misael, Wilken Aldair, et autres
Publié: (2024)

A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
par: Yuan, Xiang, et autres
Publié: (2025)

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
par: Zhang, Yu, et autres
Publié: (2025)

Analytic Gradients and Geometry Optimization for Orbital-Optimized Pair Coupled Cluster Doubles
par: Behjou, Saman, et autres
Publié: (2026)

Static Embedding with Pair Coupled Cluster Doubles Based Methods
par: Chakraborty, Rahul, et autres
Publié: (2023)

Dissociative Single and Double Ionization of Pyridine
par: Mondal, Sitanath, et autres
Publié: (2026)

Excitation Energies from the Entanglement Coupled Cluster Model for Doublets
par: Folkestad, Sarai Dery, et autres
Publié: (2025)

Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
par: Matthews, Devin A.
Publié: (2020)

Frozen Natural Orbitals based Equation-of-motion coupled-cluster singles, doubles and triples for Ionized, Double-Ionized, Electron Attached and Two-Electron Attached states
par: Manisha, et autres
Publié: (2025)

Reducing the Cost of Unitary Coupled Cluster via Active Space Partitioning
par: Vaish, Prateek, et autres
Publié: (2026)

Transition-Potential Coupled Cluster
par: Simons, Megan E., et autres
Publié: (2020)

On the Coupled Cluster Doubles Truncation Variety of Four Electrons
par: Faulstich, Fabian M., et autres
Publié: (2026)

Performance of Automatic Active Space Selection for Electronic Excitation Energies
par: Shirazi, Reza G., et autres
Publié: (2025)

A Low Cost Relativistic Algebraic Diagrammatic Construction Method Based on Cholesky Decomposition and Frozen Natural Spinors for Electronic Ionization, Attachment and Excitation Energy Problem
par: Chakraborty, Sudipta, et autres
Publié: (2025)

Complete Active Space Iterative Coupled Cluster Theory
par: Feldmann, Robin, et autres
Publié: (2024)

Single-Photon Double Ionization of Ozone
par: Ideböhn, Veronica Daver, et autres
Publié: (2026)

On the Functional Dependence of Transition-Potential Coupled Cluster
par: Delgado, Alexis A. A., et autres
Publié: (2025)

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

Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules
par: Ismail, Iyas, et autres
Publié: (2024)

Fast and Accurate Charge Transfer Excitations via Nested Aufbau Suppressed Coupled Cluster
par: Tuckman, Harrison, et autres
Publié: (2025)

A Third-Order Relativistic Algebraic Diagrammatic Construction Method for Double Ionization Potentials: Theory, Implementation, and Benchmark
par: Mandal, Sujan, et autres
Publié: (2025)

Double Ionization to CO2 Produces Molecular Oxygen: A Roaming Mechanism
par: Ma, Qibo, et autres
Publié: (2025)

Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
par: Yuan, Xiang, et autres
Publié: (2023)

Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States
par: Tuckman, Harrison, et autres
Publié: (2023)

One-Body Properties and Their Perturbative Accuracy with Aufbau Suppressed Coupled Cluster Theory
par: Bready, Conor, et autres
Publié: (2025)

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

Reduced-cost Relativistic Equation-of-Motion Coupled Cluster Method based on Frozen Natural Spinors: A State-Specific Approach
par: Mukhopadhyay, Tamoghna, et autres
Publié: (2025)

Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance
par: Ai, Yuhang, et autres
Publié: (2026)