Fermionic Wave Functions from Neural-Network Constrained Hidden States

Abstract

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 which is optimized, together with the single-particle orbitals, using a neural network parametrization. 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 proven to be universal. We apply this construction to the ground state properties of the Hubbard model on the square lattice, achieving levels of accuracy which are competitive with state-of-the-art variational methods.