Cover Image

Enhanced Krylov Methods for Molecular Hamiltonians: Reduced Memory Cost and Complexity Scaling via Tensor Hypercontraction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Wang, Yu, Luo, Maxine, Reumann, Matthias, Mendl, Christian B.
Format:	Preprint
Published:	2024
Subjects:	Strongly Correlated Electrons Chemical Physics Computational Physics Quantum Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Efficient Auxiliary-Field Quantum Monte Carlo using Isometric Tensor Hypercontraction
by: Luo, Maxine, et al.
Published: (2026)

Optimal Symbolic Construction of Matrix Product Operators and Tree Tensor Network Operators
by: Çakır, Hazar, et al.
Published: (2025)

Efficient Application of Tensor Network Operators to Tensor Network States
by: Milbradt, Richard M., et al.
Published: (2026)

Wavefunction optimization at the complete basis set limit with Multiwavelets and DMRG
by: Nibbi, Martina, et al.
Published: (2025)

Exact and Tunable Quantum Krylov Subspaces via Unitary Decomposition
by: Asthana, Ayush
Published: (2025)

Tensorized orbitals for computational chemistry
by: Jolly, Nicolas, et al.
Published: (2023)

Hartree-Fock-Bogoliubov theory for number-parity--violating fermionic Hamiltonians
by: Henderson, Thomas M., et al.
Published: (2023)

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

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)

Studies on the Transcorrelated Method
by: Lee, Nicholas, et al.
Published: (2023)

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

Graph-based block-diagonalization of full configuration interaction Hamiltonian: H$_2$ chains study
by: Park, Hayun, et al.
Published: (2025)

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

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

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

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

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

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

Tensor network influence functionals in the continuous-time limit: connections to quantum embedding, bath discretization, and higher-order time propagation
by: Park, Gunhee, et al.
Published: (2024)

Finite-Temperature Thermally-Assisted-Occupation Density Functional Theory, Ab Initio Molecular Dynamics, and Quantum Mechanics/Molecular Mechanics Methods
by: Li, Shaozhi, et al.
Published: (2025)

State Diagrams to determine Tree Tensor Network Operators
by: Milbradt, Richard M., et al.
Published: (2023)

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

Scaling up the transcorrelated density matrix renormalization group
by: Corbett, Benjamin, et al.
Published: (2025)

A Riemannian Approach to the Lindbladian Dynamics of a Locally Purified Tensor Network
by: Godinez-Ramirez, Emiliano, et al.
Published: (2024)

Contextual Subspace Auxiliary-Field Quantum Monte Carlo: Improved bias with reduced quantum resources
by: Kiser, Matthew, et al.
Published: (2024)

Orbital optimization of large active spaces via AI-accelerators
by: Legeza, Örs, et al.
Published: (2025)

PyTreeNet: A Python Library for easy Utilisation of Tree Tensor Networks
by: Milbradt, Richard M., et al.
Published: (2024)

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

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

Polylogarithmic-Depth Quantum Algorithm for Simulating the Extended Hubbard Model on a Two-Dimensional Lattice Using the Fast Multipole Method
by: Wang, Yu, et al.
Published: (2025)

A toolbox of spin-adapted generalized Pauli constraints
by: Liebert, Julia, et al.
Published: (2025)

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)

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)

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

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

pyTTN: An Open Source Toolbox for Open and Closed System Quantum Dynamics Simulations Using Tree Tensor Networks
by: Lindoy, Lachlan P, et al.
Published: (2025)

Simple Fermionic backflow states via a systematically improvable tensor decomposition
by: Bortone, Massimo, et al.
Published: (2024)

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

Generalized many-body perturbation theory for the electron correlation energy: multi-reference random phase approximation via diagrammatic resummation
by: Wang, Yuqi, et al.
Published: (2024)

Ab Initio Random Matrix Theory of Molecular Electronic Structure
by: Tao, Zhen, et al.
Published: (2026)