Natural orbital-based Lanczos method for Anderson impurity models

作者：Bi, Sheng; Huang, Li; Tong, Ning-Hua^*

来源：Computer Physics Communications, 2019, 235: 196-209.

DOI：10.1016/j.cpc.2018.09.002

• Lanczos
• Natural orbital
• Anderson impurity model
• Quantum impurity solver

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 Lu et al. (2014). 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.

• 出版日期2019-2
• 单位中国人民大学