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DOE OSTI · 3364804

Symmetry-projected spin-AGP methods applied to spin systems

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 the 2D 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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BibTeXRIS

Liu, Zhiyuan [Rice Univ., Houston, TX (United States)] (ORCID:0009000137496981), Henderson, Thomas M. [Rice Univ., Houston, TX (United States)] (ORCID:0000000243584312), Scuseria, Gustavo E. [Rice Univ., Houston, TX (United States)] (ORCID:0000000246358126). 2025-07-10. Symmetry-projected spin-AGP methods applied to spin systems. https://doi.org/10.1063/5.0274797

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