Exact Kohn-Sham eigenstates versus quasiparticles in simple models of strongly correlated electrons

被引:19
作者
Carrascal, D. J. [1 ,2 ]
Ferrer, J. [1 ,2 ,3 ]
机构
[1] Univ Oviedo, Dept Fis, ES-33007 Oviedo, Spain
[2] Univ Oviedo, CSIC, Nanomat & Nanotechnol Res Ctr, Llanera 33428, Spain
[3] Univ Lancaster, Dept Phys, Lancaster LA1 4YB, England
关键词
DENSITY-FUNCTIONAL THEORY; GREENS-FUNCTION;
D O I
10.1103/PhysRevB.85.045110
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present analytic expressions for the exact density functional and Kohn-Sham Hamiltonian of simple tight-binding models of correlated electrons. These are the single-and double-site versions of the Anderson, Hubbard, and spinless fermion models. The exact exchange and correlation potentials keep the full nonlocal dependence on electron occupations. The analytic expressions allow us to compare the Kohn-Sham eigenstates of exact density functional theory with the many-body quasiparticle states of these correlated-electron systems. The exact Kohn-Sham spectrum describes correctly many of the nontrivial features of the many-body quasiparticle spectrum such as, for example, the precursors of the Kondo peak. However, we find that some pieces of the quasiparticle spectrum are missing because the many-body phase space for electron and hole excitations is richer.
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页数:11
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共 43 条
[31]   Self-interaction corrections in semiconductors [J].
Rieger, MM ;
Vogl, P .
PHYSICAL REVIEW B, 1995, 52 (23) :16567-16574
[32]   The self-energy beyond GW: Local and nonlocal vertex corrections [J].
Romaniello, P. ;
Guyot, S. ;
Reining, L. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (15)
[33]   Successes and failures of Bethe ansatz density functional theory [J].
Schenk, Stefan ;
Dzierzawa, Michael ;
Schwab, Peter ;
Eckern, Ulrich .
PHYSICAL REVIEW B, 2008, 78 (16)
[34]   DENSITY-FUNCTIONAL THEORY ON A LATTICE - COMPARISON WITH EXACT NUMERICAL RESULTS FOR A MODEL WITH STRONGLY CORRELATED ELECTRONS [J].
SCHONHAMMER, K ;
GUNNARSSON, O ;
NOACK, RM .
PHYSICAL REVIEW B, 1995, 52 (04) :2504-2510
[35]   DENSITY-FUNCTIONAL THEORY OF THE ENERGY-GAP [J].
SHAM, LJ ;
SCHLUTER, M .
PHYSICAL REVIEW LETTERS, 1983, 51 (20) :1888-1891
[36]  
Stoudenmire E., ARXIV11072394
[37]   Many-body approximation scheme beyond GW [J].
Sun, P ;
Kotliar, G .
PHYSICAL REVIEW LETTERS, 2004, 92 (19) :196402-1
[38]   Conserving GW scheme for nonequilibrium quantum transport in molecular contacts [J].
Thygesen, Kristian S. ;
Rubio, Angel .
PHYSICAL REVIEW B, 2008, 77 (11)
[39]   Self-interaction errors in density-functional calculations of electronic transport [J].
Toher, C ;
Filippetti, A ;
Sanvito, S ;
Burke, K .
PHYSICAL REVIEW LETTERS, 2005, 95 (14)
[40]   EXACT RESULTS IN THE THEORY OF MAGNETIC-ALLOYS [J].
TSVELICK, AM ;
WIEGMANN, PB .
ADVANCES IN PHYSICS, 1983, 32 (04) :453-713