Export citation

Export citation

Choose format for download:

Download Citation

    Grassmann variational Monte Carlo with neural wave functions

    Douglas Hendry*, Alessandro Sinibaldi, and Giuseppe Carleo

    • *Contact author: hendrydouglas11@gmail.com

    Phys. Rev. B 114, 134404 – Published 3 September, 2026

    DOI: https://doi.org/10.1103/l8mr-567g

    Abstract

    Excited states play a central role in determining the physical properties of quantum matter, yet their accurate computation in many-body systems remains a formidable challenge for numerical methods. While neural quantum states have delivered outstanding results for ground-state problems, extending their applicability to excited states has faced limitations, including instability in dense spectra and reliance on symmetry constraints or penalty-based formulations. In this work, we rigorously formalize the framework introduced in [D. Pfau et al., Science 385, eadn0137 (2024)] in terms of Grassmann geometry of the Hilbert space. This allows us to generalize the Stochastic Reconfiguration method for the simultaneous optimization of multiple variational wave functions, and to introduce the multidimensional versions of operator variances and overlaps. We validate our approach on the Heisenberg quantum spin model on the square lattice, achieving highly accurate energies and physical observables for a large number of excited states.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation