English

Boson Slave Solver (BoSS) v1.1

Strongly Correlated Electrons 2021-05-19 v1 Quantum Physics

Abstract

Accurate and computationally efficient modeling of systems of interacting electrons is an outstanding problem in theoretical and computational materials science. For materials where strong electronic interactions are primarily of a localized character and act within a subspace of localized quantum states on separate atomic sites (e.g., in transition metal and rare-earth compounds), their electronic behaviors are typically described by the Hubbard model and its extensions. In this work, we describe BoSS (Boson Slave Solver), a software implementation of the slave-boson method appropriate for describing a variety of extended Hubbard models, namely pdp-d models that include both the interacting atomic sites ("dd" states) and non-interacting or ligand sites ("pp" states). We provide a theoretical background, a description of the equations solved by BoSS, an overview of the algorithms used, the key input/output and control variables of the software program, and tutorial examples of its use featuring band renormalization in SrVO3_3, Ni 3d3d multiplet structure in LaNiO3_3, and the relation between the formation of magnetic moments and insulating behavior in SmNiO3_3. BoSS interfaces directly with popular electronic structure codes: it can read the output of the Wannier90 software package which postprocesses results from workhorse electronic structure software such as Quantum Espresso or VASP.

Cite

@article{arxiv.2007.11061,
  title  = {Boson Slave Solver (BoSS) v1.1},
  author = {Alexandru B. Georgescu and Minjung Kim and Sohrab Ismail-Beigi},
  journal= {arXiv preprint arXiv:2007.11061},
  year   = {2021}
}
R2 v1 2026-06-23T17:17:51.477Z