An integrated neural wavefunction solver for spinful Fermi systems
- URL: http://arxiv.org/abs/2510.18621v1
- Date: Tue, 21 Oct 2025 13:20:31 GMT
- Title: An integrated neural wavefunction solver for spinful Fermi systems
- Authors: Alexander Avdoshkin, Max Geier, Liang Fu,
- Abstract summary: 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.<n>A transformer achieves both continuous position and discrete spin as inputs universal approximation to spinful generalized orbitals.<n>We validate the method on a range of two-dimensional material problems.
- Score: 41.99844472131922
- License: http://creativecommons.org/licenses/by/4.0/
- 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 wavefunction to represent fermionic states. This sampling is necessary when the Hamiltonian contains explicit spin dependence and, for spin-independent Hamiltonians, we find that the inclusion of spin updates leads to faster convergence to an antiferromagnetic ground state. 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 moir\'e potential.
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