A gauge constrained algorithm of VDAT at $\mathcal{N}=3$ for the multi-orbital Hubbard model
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 , and increasing monotonically approaches the exact solution. VDAT can be exactly evaluated in the 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 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 , 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 to be straightforwardly applied to the seven orbital Hubbard model. We present results and a performance analysis using and for the Hubbard model in with , 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 to strongly correlated electron materials.
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}
}