English

Symmetry-projected cluster mean-field theory applied to spin systems

Strongly Correlated Electrons 2023-08-24 v3 Chemical Physics

Abstract

We introduce SzS_z spin-projection based on cluster mean-field theory and apply it to the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is SzS_z symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all SzS_z sectors, breaking SzS_z symmetry. In addition, a projection scheme is used to restore global SzS_z, which gives rise to SzS_z spin-projected generalized cluster mean-field (Sz_zGcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J1J2J_1-J_2 and XXZXXZ Heisenberg models. Our results indicate that the new methods (GcMF and Sz_zGcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

Keywords

Cite

@article{arxiv.2304.12822,
  title  = {Symmetry-projected cluster mean-field theory applied to spin systems},
  author = {Athanasios Papastathopoulos-Katsaros and Thomas M. Henderson and Gustavo E. Scuseria},
  journal= {arXiv preprint arXiv:2304.12822},
  year   = {2023}
}