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research article

Fermionic wave functions from neural-network constrained hidden states

Robledo Moreno, Javier
•
Carleo, Giuseppe  
•
Georges, Antoine
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August 3, 2022
Proceedings Of The National Academy Of Sciences Of The United States Of America (PNAS)

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving “hidden” additional fermionic degrees of freedom. These determinants are projected onto the physical Hilbert space through a constraint that is optimized, together with the single-particle orbitals, using a neural network parameterization. This construction draws inspiration from the success of hidden-particle representations but overcomes the limitations associated with the mean-field treatment of the constraint often used in this context. Our construction provides an extremely expressive family of wave functions, which is proved to be universal. We apply this construction to the ground-state properties of the Hubbard model on the square lattice, achieving levels of accuracy that are competitive with those of state-of-the-art variational methods.

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Type
research article
DOI
10.1073/pnas.2122059119
Author(s)
Robledo Moreno, Javier
Carleo, Giuseppe  
Georges, Antoine
Stokes, James
Date Issued

2022-08-03

Published in
Proceedings Of The National Academy Of Sciences Of The United States Of America (PNAS)
Volume

119

Issue

32

Article Number

e2122059119

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CQSL  
Available on Infoscience
November 5, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/191840
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