The Gutzwiller conjugate gradient minimization method for correlated electron systems

JOURNAL OF PHYSICS-CONDENSED MATTER(2022)

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摘要
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 F-2 to illustrate our efforts to further reduce the computational complexity.
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关键词
correlated electron systems, Gutzwiller wave function, potential energy curve, Hubbard model
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