Ab-initio study of interacting fermions at finite temperature with neural canonical transformation

TL;DR

This paper introduces a variational density matrix method using neural canonical transformations to study finite-temperature properties of interacting fermions, effectively addressing challenges like the fermion sign problem.

Contribution

It proposes a novel quantum neural transformation approach for fermionic systems, enabling accurate low-temperature analysis of strongly correlated electrons.

Findings

Successfully models electron behavior in quantum dots.

Captures the Fermi liquid to Wigner molecule crossover.

Overcomes limitations of quantum Monte Carlo methods.

Abstract

We present a variational density matrix approach to the thermal properties of interacting fermions in the continuum. The variational density matrix is parametrized by a permutation equivariant many-body unitary transformation together with a discrete probabilistic model. The unitary transformation is implemented as a quantum counterpart of neural canonical transformation, which incorporates correlation effects via a flow of fermion coordinates. As the first application, we study electrons in a two-dimensional quantum dot with an interaction-induced crossover from Fermi liquid to Wigner molecule. The present approach provides accurate results in the low-temperature regime, where conventional quantum Monte Carlo methods face severe difficulties due to the fermion sign problem. The approach is general and flexible for further extensions, thus holds the promise to deliver new physical results on strongly correlated fermions in the context of ultracold quantum gases, condensed matter, and warm dense matter physics.