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arXiv · 2504.08130

Symmetry-Projected Spin-AGP Methods Applied to Spin Systems

Zhiyuan Liu·Thomas M. Henderson·Gustavo E. Scuseria
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Abstract

Symmetry-projected wave function methods capture static correlation by breaking and restoring the symmetries of a system. In this article, we present the symmetry-projected spin antisymmetrized geminal power (spin-AGP) state projected onto space group symmetry as well as complex conjugation, spin-flip, and time-reversal symmetries. The method is benchmarked on the 1D XXZ model and 2D $\mathrm{J_1-J_2}$ model with square and triangular lattices. Our results indicate that symmetry projection methods provide a powerful tool for frustrated spin systems.

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Zhiyuan Liu, Thomas M. Henderson, Gustavo E. Scuseria. 2025-04-10. Symmetry-Projected Spin-AGP Methods Applied to Spin Systems. https://doi.org/10.1063/5.0274797

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