journal article·2023-08-25

Exploring spin antisymmetrized geminal power Ansätze for strongly correlated spin systems

Zhiyuan Liu, Fei Gao, Guo P. Chen, Thomas M. Henderson, Jorge Dukelsky, Gustavo E. Scuseria

Physical Review B· Volume 108· Issue 8
Publisher page

Abstract

The antisymmetrized geminal power (AGP), a wave function equivalent to number-projected Hartree-Fock-Bogoliubov (HFB), and number-projected Bardeen-Cooper-Schrieffer (BCS) when working in the paired (natural orbitals) basis, has proven to be an excellent reference for strong pairing interactions. Several correlation methods have also been applied on top of AGP. In this work, we show how AGP can also be applied to spin systems by simply basing its formulation on a spin $su(2)$ algebra. We here implement spin AGP and spin AGP-based correlation techniques and benchmark them on the XXZ and ${\mathrm{J}}1\text{\ensuremath{-}}{\mathrm{J}}2$ Heisenberg models, both in one and two dimensions. Our results indicate that spin AGP is a promising starting point for modeling spin systems.
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Research context

OpenAlex topics: Advanced NMR Techniques and Applications · Physics of Superconductivity and Magnetism · Advanced Condensed Matter Physics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Physics and Astronomy, Rice University, Houston, Texas 77005-1892, USA

Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA

Instituto de Estructura de la Materia, IEM-CSIC, Serrano 123, 28006 Madrid, Spain

Funding

National Science Foundation · Welch Foundation · Ministerio de Ciencia, Innovación y Universidades

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