Copertina

Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Phillips, Justin T., Koulias, Lauren N., Yuwono, Stephen H., DePrince III, A. Eugene
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
di: DePrince III, A. Eugene, et al.
Pubblicazione: (2026)

Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
di: DePrince III, A. Eugene, et al.
Pubblicazione: (2025)

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

Automated Quantum Chemistry Code Generation with the p$^\dagger$q Package
di: Liebenthal, Marcus D., et al.
Pubblicazione: (2025)

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

Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space
di: Upadhyay, Shiv, et al.
Pubblicazione: (2026)

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

Two-component relativistic equation-of-motion coupled cluster for electron ionization
di: Yuwono, Stephen H., et al.
Pubblicazione: (2024)

The orientation dependence of cavity-modified chemistry
di: Liebenthal, Marcus D., et al.
Pubblicazione: (2024)

Relativistic coupled cluster with completely renormalized and perturbative triples corrections
di: Yuwono, Stephen H., et al.
Pubblicazione: (2024)

Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions
di: Li, Run R., et al.
Pubblicazione: (2021)

Data-driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
di: Jones, Grier M., et al.
Pubblicazione: (2023)

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

Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory
di: Jiang, Andy, et al.
Pubblicazione: (2022)

Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
di: Rubin, Nicholas C., et al.
Pubblicazione: (2026)

Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
di: Shayit, Agam, et al.
Pubblicazione: (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
di: Zhang, Yu, et al.
Pubblicazione: (2025)

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

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

Unitary Coupled-Cluster theory for the treatment of molecules in strong magnetic fields
di: Grazioli, Laura, et al.
Pubblicazione: (2025)

Reducing the Cost of Unitary Coupled Cluster via Active Space Partitioning
di: Vaish, Prateek, et al.
Pubblicazione: (2026)

Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion
di: He, Runhong, et al.
Pubblicazione: (2026)

Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz
di: Li, Weitang, et al.
Pubblicazione: (2024)

Fast quantum simulation of electronic structure by spectrum amplification
di: Low, Guang Hao, et al.
Pubblicazione: (2025)

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

Improving Aufbau Suppressed Coupled Cluster Through Perturbative Analysis
di: Tuckman, Harrison, et al.
Pubblicazione: (2025)

Non-Iterative Disentangled Unitary Coupled-Cluster based on Lie-algebraic structure
di: Haidar, Mohammad, et al.
Pubblicazione: (2024)

Variational determination of the two‐electron reduced density matrix: A tutorial review
di: A. Eugene DePrince
Pubblicazione: (2024)

Seniority-Zero Canonical Transformation Theory: Reducing Truncation Error with Late Truncation
di: Calero-Osorio, Daniel F., et al.
Pubblicazione: (2025)

Fault-tolerant quantum simulation of materials using Bloch orbitals
di: Rubin, Nicholas C., et al.
Pubblicazione: (2023)

Automated Unitary Coupled Cluster Circuit Design via Differentiable Quantum Architecture Search
di: Chen, Jianpeng, et al.
Pubblicazione: (2026)

Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
di: Fuglsbjerg, Juliane H., et al.
Pubblicazione: (2025)

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

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

Assessing the Reliability of Truncated Coupled Cluster Wavefunction: Estimating the Distance from the Exact Solution
di: Ganyecz, Ádám, et al.
Pubblicazione: (2025)

A State-Specific Iterative Decoupling Scheme Based on Perturbation Theory for Low-Energy Electronic States
di: Bindech, Oussama, et al.
Pubblicazione: (2025)

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

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

Multireference Perturbation Theories Based on the Dyall Hamiltonian
di: Sokolov, Alexander Yu.
Pubblicazione: (2024)

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