Downfolded Self-Energy of Many-Electron Systems

被引:35
作者
Aryasetiawan, F. [1 ,2 ,3 ]
Tomczak, J. M. [2 ,3 ]
Miyake, T. [2 ,3 ]
Sakuma, R. [1 ,3 ]
机构
[1] Chiba Univ, Grad Sch Adv Integrat Sci, Inage Ku, Chiba 2638522, Japan
[2] AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
[3] Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan
关键词
GREENS-FUNCTION; SOLIDS;
D O I
10.1103/PhysRevLett.102.176402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may correspond to, for example, partially filled narrow bands, which often characterize strongly correlated materials. The formalism delivers naturally the frequency-dependent effective interaction (the Hubbard U) and provides a general framework for constructing theoretical models based on the Green's function language. It also furnishes a general scheme for first-principles calculations of complex systems in which the main correlation effects are concentrated on a small subspace of the full Hilbert space.
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页数:4
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