Cover Image

Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Borda, Edgar Josué Landinez, Berard, Kenneth O., Lopez, Annette, Rubenstein, Brenda
Format:	Preprint
Published:	2021
Subjects:	Chemical Physics Strongly Correlated Electrons
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
by: Lopez, Annette, et al.
Published: (2024)

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

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

A many-body characterization of the fundamental gap in monolayer CrI$_3$
by: Staros, Daniel, et al.
Published: (2025)

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

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

Disentangling the Physics of the Attractive Hubbard Model via the Accessible and Symmetry-Resolved Entanglement Entropies
by: Shen, Tong, et al.
Published: (2023)

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

Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory
by: Gräßer, Timo, et al.
Published: (2025)

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

Distinguishing homolytic versus heterolytic bond dissociation of phenyl sulfonium cations with localized active space methods
by: Wang, Qiaohong, et al.
Published: (2024)

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)

Hybrid Quantum-Classical Simulations of Graphene Analogues: Adsorption Energetics Beyond DFT
by: Rayabharam, Archith, et al.
Published: (2025)

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

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

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

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

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

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

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

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

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

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

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

Exchange kernel $f^h_x(q,ω)$ of electron liquid from the variational principle of McLachlan
by: Nazarov, Vladimir U., et al.
Published: (2024)

Hybrid tensor network and neural network quantum states for quantum chemistry
by: Wu, Zibo, et al.
Published: (2025)

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

NNQS-AFQMC: Neural network quantum states enhanced fermionic quantum Monte Carlo
by: Xiao, Zhi-Yu, et al.
Published: (2025)

Copula approach to exchange-correlation hole in many-electron systems with strong correlations
by: Wang, JingChun, et al.
Published: (2022)

A DMFT approach to evaluate electronic frictional effects near solid surfaces of strongly correlated systems
by: Liu, Yunhao, et al.
Published: (2026)

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

Multi-reference GW approximation for strongly correlated molecules
by: Wang, Yuqi, et al.
Published: (2026)

Charge-sensitive vibrational modes in BEDT-TTF salts: Signatures of charge ordering and site charge
by: Priya, Savita, et al.
Published: (2026)

Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange
by: Pokhilko, Pavel, et al.
Published: (2024)

Topological Transitions in Orbital-Symmetry-Controlled Chemical Reactions
by: Xie, Ziren, et al.
Published: (2025)

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

Challenges with relativistic GW calculations in solids and molecules
by: Harsha, Gaurav, et al.
Published: (2024)

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

Beyond a Richardson-Gaudin mean-field: Slater-Condon rules and perturbation theory
by: Johnson, Paul A.
Published: (2024)

Nuclear gradients from auxiliary-field quantum Monte Carlo and their application in geometry optimization and transition state search
by: Kurian, Jo S., et al.
Published: (2026)