English

A gauge constrained algorithm of VDAT at $\mathcal{N}=3$ for the multi-orbital Hubbard model

Strongly Correlated Electrons 2023-06-29 v2

Abstract

The recently developed variational discrete action theory (VDAT) provides a systematic variational approach to the ground state of the quantum many-body problem, where the quality of the solution is controlled by an integer N\mathcal{N}, and increasing N\mathcal{N} monotonically approaches the exact solution. VDAT can be exactly evaluated in the d=d=\infty multi-orbital Hubbard model using the self-consistent canonical discrete action theory (SCDA), which requires a self-consistency condition for the integer time Green's functions. Previous work demonstrates that N=3\mathcal{N}=3 accurately captures multi-orbital Mott/Hund physics at a cost similar to the Gutzwiller approximation. Here we employ a gauge constraint to automatically satisfy the self-consistency condition of the SCDA at N=3\mathcal{N}=3, yielding an even more efficient algorithm with enhanced numerical stability. We derive closed form expressions of the gauge constrained algorithm for the multi-orbital Hubbard model with general density-density interactions, allowing VDAT at N=3\mathcal{N}=3 to be straightforwardly applied to the seven orbital Hubbard model. We present results and a performance analysis using N=2\mathcal{N}=2 and N=3\mathcal{N}=3 for the SU(2Norb)\textrm{SU}(2\textrm{N}_{\textrm{orb}}) Hubbard model in d=d=\infty with Norb=28\textrm{N}_{\textrm{orb}}=2-8, and compare to numerically exact dynamical mean-field theory solutions where available. The developments in this work will greatly facilitate the application of VDAT at N=3\mathcal{N}=3 to strongly correlated electron materials.

Keywords

Cite

@article{arxiv.2304.14616,
  title  = {A gauge constrained algorithm of VDAT at $\mathcal{N}=3$ for the multi-orbital Hubbard model},
  author = {Zhengqian Cheng and Chris A. Marianetti},
  journal= {arXiv preprint arXiv:2304.14616},
  year   = {2023}
}
R2 v1 2026-06-28T10:20:25.987Z