The Gutzwiller conjugate gradient minimization method for correlated electron systems
Date
2022-04-07
Authors
Ye, Zhuo
Fang, Yimei
Zhang, Han
Zhang, Feng
Wu, Shunqing
Lu, Wen-Cai
Yao, Yong-Xin
Wang, Cai-Zhuang
Ho, Kai-Ming
Major Professor
Advisor
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Iowa State University Digital Repository, Ames IA (United States)
Abstract
We review our recent work on the Gutzwiller conjugate gradient minimization method, an ab initio approach developed for correlated electron systems. The complete formalism has been outlined that allows for a systematic understanding of the method, followed by a discussion of benchmark studies of dimers, one- and two-dimensional single-band Hubbard models. In the end, we present some preliminary results of multi-band Hubbard models and large-basis calculations of F2 to illustrate our efforts to further reduce the computational complexity.
Series Number
Journal Issue
Is Version Of
Versions
Series
IS-J 10776
Academic or Administrative Unit
Type
article
Comments
This is a manuscript of an article published as Ye, Zhuo, Yimei Fang, Han Zhang, Feng Zhang, Shunqing Wu, Wen-Cai Lu, Yong-Xin Yao, Cai-Zhuang Wang, and Kai-Ming Ho. "The Gutzwiller conjugate gradient minimization method for correlated electron systems." Journal of Physics: Condensed Matter 34, no. 24 (2022): 243001.
DOI: 10.1088/1361-648X/ac5e03.
Copyright 2022 IOP Publishing Ltd.
Posted with permission.
DOE Contract Number(s): AC02-07CH11358; 11874307; 12147138; 20720210023; 21773132.