Solving Fermi-Hubbard-type models by tensor representations of backflow corrections
- 4 June 2024
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 109 (24) , 245107
Abstract
The quantum many-body problem is an important topic in condensed matter physics. To efficiently solve the problem, several methods have been developed to improve the representation ability of wave functions. For the Fermi-Hubbard model under periodic boundary conditions, current state-of-the-art methods are neural network backflows and the hidden fermion Slater determinant. The backflow correction is an efficient way to improve the Slater determinant of free particles. In this work we propose a tensor representation of the backflow-corrected wave function; we show that for the spinless model, the energy precision is competitive or even lower than current state-of-the-art fermionic tensor network methods. For models with spin, we further improve the representation ability by considering backflows on fictitious particles with different spins, thus naturally introducing nonzero backflow corrections when the orbital and the particle have opposite spins. We benchmark our method on molecules in the STO-3G basis and the Fermi-Hubbard model with periodic and cylindrical boundary conditions. We show that the tensor representation of backflow corrections achieves competitive or even lower-energy results than current state-of-the-art neural network methods.
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Funding Information
- National Natural Science Foundation of China (11974334)
- National Science Foundation (OAC-2139536, OAC-1928147)
- University of Science and Technology of China
This publication has 36 references indexed in Scilit:
- Deep learning representations for quantum many-body systems on heterogeneous hardwareMachine Learning: Science and Technology, 2023
- Fermionic wave functions from neural-network constrained hidden statesProceedings of the National Academy of Sciences, 2022
- Solving quasiparticle band spectra of real solids using neural-network quantum statesCommunications Physics, 2021
- Solving quantum statistical mechanics with variational autoregressive networks and quantum circuitsMachine Learning: Science and Technology, 2021
- Deep-neural-network solution of the electronic Schrödinger equationNature Chemistry, 2020
- Recent developments in the PySCF program packageThe Journal of Chemical Physics, 2020
- Fermionic neural-network states for ab-initio electronic structureNature Communications, 2020
- Two-dimensional frustrated model studied with neural network quantum statesPhysical Review B, 2019
- Neural-network quantum state tomographyNature Physics, 2018
- Ground-State Energy of a Many-Fermion System. IIPhysical Review B, 1960