First-principles approach to the electronic structure of strongly correlated systems:: Combining the GW approximation and dynamical mean-field theory -: art. no. 086402

被引:318
作者
Biermann, S
Aryasetiawan, F
Georges, A
机构
[1] Univ Paris 11, Phys Solides Lab, CNRS UMR 8502, F-91405 Orsay, France
[2] ENS, LPT, CNRS UMR 8549, F-75231 Paris 05, France
[3] AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
关键词
D O I
10.1103/PhysRevLett.90.086402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We propose a dynamical mean-field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean-field theory, which enables one to treat strong interaction effects. It avoids the conceptual problems inherent to conventional "LDA+DMFT," such as Hubbard interaction parameters and double-counting terms. We apply a simplified version of the approach to the electronic structure of nickel and find encouraging results.
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页数:4
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