Copertina

Neural Quantum States Based on Selected Configurations

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Solanki, Marco Julian, Ding, Lexin, Reiher, Markus
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Chemical Physics Strongly Correlated Electrons Computational Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Utility-scale quantum computational chemistry
di: Castaldo, Davide, et al.
Pubblicazione: (2026)

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

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

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

Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz
di: Szenes, Kalman, et al.
Pubblicazione: (2024)

Multiscale Embedding for Quantum Computing
di: Weisburn, Leah P., et al.
Pubblicazione: (2024)

More quantum chemistry with fewer qubits
di: Günther, Jakob, et al.
Pubblicazione: (2023)

Refining the weighted subspace-search variational quantum eigensolver: compression of ansätze into a single pure state and optimization of weights
di: Hong, Cheng-Lin, et al.
Pubblicazione: (2023)

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

QCMaquis 4.0: Multi-Purpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
di: Szenes, Kalman, et al.
Pubblicazione: (2025)

Configuration interaction extension of AGP for incorporating inter-geminal correlations
di: Kawasaki, Airi, et al.
Pubblicazione: (2026)

Selected non-orthogonal configuration interaction with compressed single and double excitations
di: Sun, Chong, et al.
Pubblicazione: (2024)

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

Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations
di: Ding, Lexin, et al.
Pubblicazione: (2025)

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

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

Quantum embedding for molecules using auxiliary particles -- The ghost Gutzwiller Ansatz
di: Mejuto-Zaera, Carlos
Pubblicazione: (2024)

Quantum delocalization, structural order, and density response of the strongly coupled electron liquid
di: Dornheim, Tobias, et al.
Pubblicazione: (2024)

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

Role of Kinetic Exchange and Coulomb Interaction in Bonding of Hydrogen Molecular Systems and Excited States
di: Hendzel, Maciej, et al.
Pubblicazione: (2024)

Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
di: Dobrautz, Werner, et al.
Pubblicazione: (2023)

Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy
di: Loos, Pierre-François, et al.
Pubblicazione: (2024)

Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques
di: Magnusson, Erika, et al.
Pubblicazione: (2024)

Towards Efficient Quantum Computation of Molecular Ground State Energies using Bayesian Optimization with Priors over Surface Topology
di: Sorourifar, Farshud, et al.
Pubblicazione: (2024)

Development of ab initio Hubbard parameter calculation schemes in the k-point sampling real-time TDDFT program in CP2K
di: Hanasaki, Kota, et al.
Pubblicazione: (2026)

Assessing the impact of nodal surface optimization in fixed-node diffusion Monte Carlo on non-covalent interactions
di: Nakano, Kousuke, et al.
Pubblicazione: (2026)

Computing excited eigenstates using inexact Lanczos methods and tree tensor network states
di: Rano, Madhumita, et al.
Pubblicazione: (2025)

DoNOF 2.0: A modern Open-Source Electronic Structure Program for Natural Orbital Functionals
di: Lew-Yee, Juan Felipe Huan, et al.
Pubblicazione: (2025)

Simulating real-time molecular electron dynamics efficiently using the time-dependent density matrix renormalization group
di: Wahyutama, Imam S., et al.
Pubblicazione: (2024)

Cost optimized ab initio tensor network state methods: industrial perspectives
di: Menczer, Andor, et al.
Pubblicazione: (2024)

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

Tensor network state methods and quantum information theory for strongly correlated molecular systems
di: Werner, Miklós Antal, et al.
Pubblicazione: (2025)

Mixed-precision ab initio tensor network state methods adapted for NVIDIA Blackwell technology via emulated FP64 arithmetic
di: Brower, Cole, et al.
Pubblicazione: (2025)

The tilted-plane structure of the energy of finite quantum systems
di: Burgess, Andrew C., et al.
Pubblicazione: (2023)

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

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

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

Tensorized orbitals for computational chemistry
di: Jolly, Nicolas, et al.
Pubblicazione: (2023)

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

Deep learning quantum Monte Carlo for solids
di: Qian, Yubing, et al.
Pubblicazione: (2024)