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The Gutzwiller conjugate gradient minimization method for correlated electron systems
Zhuo Ye1, Yimei Fang2, Han Zhang3
1Ames Laboratory-US DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, United States of America.
Abstract:
We review our recent work on the Gutzwiller conjugate gradient minimization method, anab initioapproach 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 F2to illustrate our efforts to further reduce the computational complexity.
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