Natural Orbital-Based Lanczos Method for Anderson Impurity Models
Strongly Correlated Electrons
2018-12-05 v2
Abstract
We implement the Lanczos algorithm on natural orbital basis to solve the zero-temperature Green's function of Anderson impurity models, following the work of Y. Lu, M. H\"{o}ppner, O. Gunnarsson, and M. W. Haverkort, Phys. Rev. B {\bf 90} (2014) 085102. We present the technical details, generalize the algorithm to the cases of particle-hole asymmetry, with local magnetic field, and of two impurities. The results are benchmarked with conventional Lanczos, quantum Monte Carlo, and numerical renormalization group methods, demonstrating its potential as a powerful impurity solver for the dynamical mean-field theory.
Cite
@article{arxiv.1802.02340,
title = {Natural Orbital-Based Lanczos Method for Anderson Impurity Models},
author = {Sheng Bi and Li Huang and Ning-Hua Tong},
journal= {arXiv preprint arXiv:1802.02340},
year = {2018}
}
Comments
32 pages, 14 figures, improved, published version