Integrated neural wave-function solver for spinful Fermi systems
Phys. Rev. B 113, 195108 – Published 13 May, 2026
DOI: https://doi.org/10.1103/9pwc-s37d
Abstract
We present an approach to solving the ground state of Fermi systems that contain spin or other discrete degrees of freedom in addition to continuous coordinates. The approach combines a Markov chain Monte Carlo sampling for energy estimation that we adapted to cover the extended configuration space with a transformer-based wave function to represent fermionic states. A transformer with both continuous position and discrete spin as inputs achieves universal approximation to spinful generalized orbitals. We validate the method on a range of two-dimensional material problems: a two-dimensional electron gas with Rashba spin-orbit coupling, a noncollinear spin texture, and a quantum antiferromagnet in a honeycomb moiré potential.
