Buchumschlag

Addressing Strong Correlation by Approximate Coupled-Pair Methods with Active-Space and Full Treatments of Three-Body Clusters

Fuente: arXiv

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Magoulas, Ilias, Shen, Jun, Piecuch, Piotr
Format:	Preprint
Veröffentlicht:	2021
Schlagworte:	Chemical Physics Strongly Correlated Electrons Computational Physics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Exact closed-form unitary transformations of fermionic operators
von: Evangelista, Francesco A., et al.
Veröffentlicht: (2024)

Static Embedding with Pair Coupled Cluster Doubles Based Methods
von: Chakraborty, Rahul, et al.
Veröffentlicht: (2023)

Complete Active Space Iterative Coupled Cluster Theory
von: Feldmann, Robin, et al.
Veröffentlicht: (2024)

Connections between Richardson-Gaudin States, Perfect-Pairing, and Pair Coupled-Cluster Theory
von: Johnson, Paul A., et al.
Veröffentlicht: (2025)

Assessing the Global Natural Orbital Functional Approximation on Model Systems with Strong Correlation
von: Mitxelena, Ion, et al.
Veröffentlicht: (2024)

Quantum Many-Body Linear Algebra, Hamiltonian Moments, and a Coupled Cluster Inspired Framework
von: Ai, Yuhang, et al.
Veröffentlicht: (2025)

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

From Densities to Potentials: Benchmarking Local Exchange-Correlation Approximations
von: Ravindran, Visagan, et al.
Veröffentlicht: (2025)

Quantum Information-Assisted Complete Active Space Optimization (QICAS)
von: Ding, Lexin, et al.
Veröffentlicht: (2023)

Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
von: Agarawal, Valay, et al.
Veröffentlicht: (2024)

Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
von: Johnson, Paul A.
Veröffentlicht: (2026)

Ghost Embedding Bridging Chemistry and One-Body Theories
von: Mejuto-Zaera, Carlos, et al.
Veröffentlicht: (2026)

Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations
von: Borda, Edgar Josué Landinez, et al.
Veröffentlicht: (2021)

Advancing Natural Orbital Functional Calculations Through Deep Learning-Inspired Techniques for Large-Scale Strongly Correlated Electron Systems
von: Lew-Yee, Juan Felipe Huan, et al.
Veröffentlicht: (2024)

From Wavefunction Sign Structure to Static Correlation
von: Dubecký, Matúš
Veröffentlicht: (2025)

Correlated pair ansatz with a binary tree structure
von: Dutta, Rishab, et al.
Veröffentlicht: (2023)

X-ray Emission Spectropolarimetry of Strongly Anisotropic Single Crystal Systems using a Rowland Circle Geometry
von: Abramson, Jared E., et al.
Veröffentlicht: (2025)

Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model
von: Nguyen, Haimi, et al.
Veröffentlicht: (2024)

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
von: Shen, Jun, et al.
Veröffentlicht: (2026)

Studies on the Transcorrelated Method
von: Lee, Nicholas, et al.
Veröffentlicht: (2023)

Non-iterative Triples for Transcorrelated Coupled Cluster Theory
von: Mörchen, Maximilian, et al.
Veröffentlicht: (2024)

Electron-Transfer and Exchange-Interaction Model of the Ligand Hyperfine Structure of Alkylated Iron-Sulfur Clusters
von: Robinson, William C., et al.
Veröffentlicht: (2025)

Hidden Relaxation Term in Approximate Treatments of Responses to Electric and Magnetic Fields
von: Desmarais, Jacques K.
Veröffentlicht: (2023)

Mixed Quantum-Classical Methods for Polaron Spectral Functions
von: Nguyen, Haimi, et al.
Veröffentlicht: (2025)

Untangling Strongly and Weakly Interacting Configurations in Many-electron Wave Functions
von: Greer, J. C.
Veröffentlicht: (2024)

Efficient Optimization of Low-Rank Antisymmetric Product of Geminals Wavefunction Using the Direct Givens Rotation Method
von: Kawasaki, Airi, et al.
Veröffentlicht: (2025)

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting
von: Yang, Junjie, et al.
Veröffentlicht: (2026)

Local Exchange-Correlation Potentials by Density Inversion in Solids
von: Ravindran, Visagan, et al.
Veröffentlicht: (2024)

Towards Excitations and Dynamical Quantities in Correlated Lattices with Density Matrix Embedding Theory
von: Li, Shuoxue, et al.
Veröffentlicht: (2025)

Compactifying the Electronic Wavefunction II: Quantum Estimators for Spin-Coupled Generalized Valence Bond Wavefunctions Applied to H4
von: Gabrielly, Bruna
Veröffentlicht: (2026)

Extracting Many-Body Quantum Resources within One-Body Reduced Density Matrix Functional Theory
von: Benavides-Riveros, Carlos L., et al.
Veröffentlicht: (2023)

From Full Dynamic to Pure Static: A Family of $GW$-Based Approximations
von: Loos, Pierre-François, et al.
Veröffentlicht: (2026)

A scalable route to first-order response properties with correlated sampling phaseless auxiliary-field quantum Monte Carlo
von: Otis, Leon, et al.
Veröffentlicht: (2025)

Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
von: Harsha, Gaurav, et al.
Veröffentlicht: (2024)

Combining complex conjugation, time-reversal, and spin symmetry projection of coupled cluster wave functions
von: Song, Ruiheng, et al.
Veröffentlicht: (2024)

Modelling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: a proof of principle
von: Giarrusso, Sara, et al.
Veröffentlicht: (2024)

Fokker-Planck equation governing the distribution of walkers in AFQMC
von: Li, Alfred, et al.
Veröffentlicht: (2025)

Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
von: Hai, G. -Q., et al.
Veröffentlicht: (2024)

Extended $N$-centered ensemble density functional theory of double electronic excitations
von: Cernatic, Filip, et al.
Veröffentlicht: (2024)

Beyond CCSD(T) accuracy at lower scaling with auxiliary field quantum Monte Carlo
von: Mahajan, Ankit, et al.
Veröffentlicht: (2024)