Published January 16, 2019 | Version v1
Journal article

Improved Hubbard-I approximation impurity solver for quantum impurity models

  • 1. Department of Physics, Jiangxi Science and Technology Normal University, No. 605, Fenglin Street, Economic and Technological Development District, Nanchang 330013 (China)
  • 2. Department of Physics and the Center of Theoretical and Computational Physics, The University of Hong Kong, Hong Kong Special Administrative Region of China (China)
  • 3. Science and Technology on Surface Physics and Chemistry Laboratory, PO Box 9-35, Jiangyou 621908 (China)
  • 4. Co-Innovation Center for New Energetic Materials, Southwest University of Science and Technology, Mianyang, Sichuan 621010 (China)

Description

We develop a fast impurity solver which is based on the combination of Hubbard-I approximation and hybridization expansion continuous-time quantum Monte Carlo algorithm. This solver inherits the advantages of both algorithms. In order to demonstrate the power and usefulness of this solver, we use it to study the magnetic phase transitions of single-band and two-band Hubbard models in the framework of single-site dynamical mean-field theory. The calculated results agree well with those obtained by hybridization expansion quantum impurity solver. It is suggested that this solver is very suitable to solve the multi-orbital quantum impurity models efficiently and can be used to study more realistic systems with magnetic long-range order in the future. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1361-648X/aaee95

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
31
Journal Issue
2
Journal Page Range
[9 p.]
ISSN
0953-8984
CODEN
JCOMEL