Complex-Energy Second-Order Approximate Coupled-Cluster Methods for Electronic Resonances
Fuente:
arXiv
Saved in:
| Main Authors: | Utku, Cansu, Paran, Garrette Pauley, Jagau, Thomas-C. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Partial Auger Decay Widths from Complex-Valued Density Matrices
by: Matz, Florian, et al.
Published: (2025)
by: Matz, Florian, et al.
Published: (2025)
Ab initio computation of Auger decay in heavy metals: zinc about it
by: Ferino-Pérez, Anthuan, et al.
Published: (2024)
by: Ferino-Pérez, Anthuan, et al.
Published: (2024)
Coupled-cluster approach to Coster-Kronig decay and Auger decay in hydrogen sulfide and argon
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
Dissociative Electron Attachment on Metal Surfaces: The Case of HCl$^-$ on Au(111)
by: Moorby, Robin E., et al.
Published: (2024)
by: Moorby, Robin E., et al.
Published: (2024)
How `Nonvariational' Are Approximate Coupled Cluster Methods In Practice?
by: Martin, Jan M. L., et al.
Published: (2024)
by: Martin, Jan M. L., et al.
Published: (2024)
Complex-variable MP2 theory applied to core-vacant states for the computation of Auger spectra
by: Matz, Florian, et al.
Published: (2025)
by: Matz, Florian, et al.
Published: (2025)
Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
by: Matthews, Devin A.
Published: (2020)
by: Matthews, Devin A.
Published: (2020)
Accelerating the Convergence of Higher-Order Coupled Cluster Methods II: Coupled Cluster $Λ$ Equations and Dynamic Damping
by: Matthews, Devin A.
Published: (2020)
by: Matthews, Devin A.
Published: (2020)
Signatures of s-wave scattering in bound electronic states
by: Moorby, Robin E., et al.
Published: (2024)
by: Moorby, Robin E., et al.
Published: (2024)
Real-Time Coupled Cluster Theory with Approximate Triples
by: Wang, Zhe, et al.
Published: (2024)
by: Wang, Zhe, et al.
Published: (2024)
Ab initio treatment of molecular Coster-Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance
by: Ai, Yuhang, et al.
Published: (2026)
by: Ai, Yuhang, et al.
Published: (2026)
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
by: Zhang, Yu, et al.
Published: (2025)
by: Zhang, Yu, et al.
Published: (2025)
Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory
by: Majumder, Rajat, et al.
Published: (2024)
by: Majumder, Rajat, et al.
Published: (2024)
Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
by: Erhart, Luca, et al.
Published: (2024)
by: Erhart, Luca, et al.
Published: (2024)
Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)
by: DePrince III, A. Eugene, et al.
Published: (2026)
Inclusion of Three-body Correction to Relativistic Equation-of-Motion Coupled Cluster Method: The Application to Electron Detachment Problem
by: Thapa, Mrinal, et al.
Published: (2026)
by: Thapa, Mrinal, et al.
Published: (2026)
Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States
by: Tuckman, Harrison, et al.
Published: (2023)
by: Tuckman, Harrison, et al.
Published: (2023)
Excitation Energies from the Entanglement Coupled Cluster Model for Doublets
by: Folkestad, Sarai Dery, et al.
Published: (2025)
by: Folkestad, Sarai Dery, et al.
Published: (2025)
Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory
by: Fabbro, Gabriele, et al.
Published: (2025)
by: Fabbro, Gabriele, et al.
Published: (2025)
A Reusable Library for Second-Order Orbital Optimization Using the Trust Region Method
by: Greiner, Jonas, et al.
Published: (2025)
by: Greiner, Jonas, et al.
Published: (2025)
Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory
by: Jiang, Andy, et al.
Published: (2022)
by: Jiang, Andy, et al.
Published: (2022)
Chemical Potentials and the One-Electron Hamiltonian of the Second-Order Perturbation Theory from the Functional Derivative Approach
by: Li, Jiachen, et al.
Published: (2024)
by: Li, Jiachen, et al.
Published: (2024)
Cavity Born-Oppenheimer Coupled Cluster Theory: Towards Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime
by: Fischer, Eric W.
Published: (2025)
by: Fischer, Eric W.
Published: (2025)
Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Electronic Structure Framework
by: Zaidi, Zain, et al.
Published: (2026)
by: Zaidi, Zain, et al.
Published: (2026)
Second-Order Adjoint Method for Quantum Optimal Control
by: Bhat, Harish S.
Published: (2025)
by: Bhat, Harish S.
Published: (2025)
A Reduced Cost Four-Component Relativistic Unitary Coupled Cluster Method for Molecules
by: Majee, Kamal, et al.
Published: (2024)
by: Majee, Kamal, et al.
Published: (2024)
Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
by: Krishnan, Aparna, et al.
Published: (2026)
by: Krishnan, Aparna, et al.
Published: (2026)
Addressing Strong Correlation by Approximate Coupled-Pair Methods with Active-Space and Full Treatments of Three-Body Clusters
by: Magoulas, Ilias, et al.
Published: (2021)
by: Magoulas, Ilias, et al.
Published: (2021)
Simulating Electron Dynamics with GPU-Accelerated Real-Time Tamm-Dancoff Approximation
by: Knoll, Thomas, et al.
Published: (2026)
by: Knoll, Thomas, et al.
Published: (2026)
Transition-Potential Coupled Cluster
by: Simons, Megan E., et al.
Published: (2020)
by: Simons, Megan E., et al.
Published: (2020)
A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
by: Yuan, Xiang, et al.
Published: (2025)
by: Yuan, Xiang, et al.
Published: (2025)
Unphysical Solutions in Coupled-Cluster-Based Random Phase Approximation and How to Avoid Them
by: Song, Ruiheng, et al.
Published: (2025)
by: Song, Ruiheng, et al.
Published: (2025)
Rothe Time Propagation for Coupled Electronic and Rovibrational Quantum Dynamics
by: Woźniak, Aleksander P., et al.
Published: (2025)
by: Woźniak, Aleksander P., et al.
Published: (2025)
A perturbative triples correction to relativistic Quadratic Unitary Coupled Cluster Method: Theory, Implementation and Benchmarking
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential
by: Chamoli, Somesh, et al.
Published: (2025)
by: Chamoli, Somesh, et al.
Published: (2025)
Photoluminescence Line Shapes of Nanocrystals: Contributions from First- and Second-Order Vibronic Couplings
by: Peng, Kaiyue, et al.
Published: (2026)
by: Peng, Kaiyue, et al.
Published: (2026)
Electronic Strong Coupling of Gas-Phase Molecular Iodine
by: Nelson, Jane C., et al.
Published: (2026)
by: Nelson, Jane C., et al.
Published: (2026)
Analytic Computation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory
by: Shumberger, Brendan M., et al.
Published: (2025)
by: Shumberger, Brendan M., et al.
Published: (2025)
Electron Attachment Induced Shape Resonances in AT Base Pairs
by: Arora, Sneha, et al.
Published: (2026)
by: Arora, Sneha, et al.
Published: (2026)
Similar Items
-
Partial Auger Decay Widths from Complex-Valued Density Matrices
by: Matz, Florian, et al.
Published: (2025) -
Ab initio computation of Auger decay in heavy metals: zinc about it
by: Ferino-Pérez, Anthuan, et al.
Published: (2024) -
Coupled-cluster approach to Coster-Kronig decay and Auger decay in hydrogen sulfide and argon
by: Drennhaus, Jan Philipp, et al.
Published: (2024) -
Dissociative Electron Attachment on Metal Surfaces: The Case of HCl$^-$ on Au(111)
by: Moorby, Robin E., et al.
Published: (2024) -
How `Nonvariational' Are Approximate Coupled Cluster Methods In Practice?
by: Martin, Jan M. L., et al.
Published: (2024)