Many-body perturbation theory using the density-functional concept:: Beyond the GW approximation -: art. no. 186402

被引:126
作者
Bruneval, F [1 ]
Sottile, F
Olevano, V
Del Sole, R
Reining, L
机构
[1] Ecole Polytech, CNRS, CEA, UMR 7642,Lab Solides Irradies, F-91128 Palaiseau, France
[2] Univ Roma Tor Vergata, Ist Nazl Fis Mat, I-00133 Rome, Italy
[3] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy
关键词
D O I
10.1103/PhysRevLett.94.186402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We propose an alternative formulation of many-body perturbation theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, which leads to excellent optical absorption and energy-loss spectra. The corresponding three-point vertex function and self-energy are then simply calculated via an integration, for any level of approximation. Moreover, we show the direct impact of this formulation on the time-dependent density-functional theory. Numerical results for the band gap of bulk silicon and solid argon illustrate corrections beyond the GW approximation for the self-energy.
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页数:4
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共 26 条
[1]   Ab initio calculation of the exchange-correlation kernel in extended systems -: art. no. 165108 [J].
Adragna, G ;
Del Sole, R ;
Marini, A .
PHYSICAL REVIEW B, 2003, 68 (16)
[2]   SELF-ENERGY OF FERROMAGNETIC NICKEL IN THE GW APPROXIMATION [J].
ARYASETIAWAN, F .
PHYSICAL REVIEW B, 1992, 46 (20) :13051-13064
[3]  
Aulbur WG, 2000, SOLID STATE PHYS, V54, P1
[4]   GWT APPROXIMATION FOR ELECTRON SELF-ENERGIES IN SEMICONDUCTORS AND INSULATORS [J].
DELSOLE, R ;
REINING, L ;
GODBY, RW .
PHYSICAL REVIEW B, 1994, 49 (12) :8024-8028
[5]   Self-consistent density-functional approach to the correlated ground states and an unrestricted many-body perturbation theory [J].
Farid, B .
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1997, 76 (02) :145-192
[6]   Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems [J].
Ghosez, P ;
Gonze, X ;
Godby, RW .
PHYSICAL REVIEW B, 1997, 56 (20) :12811-12817
[7]   REFLECTION SPECTRUM OF SOLID ARGON IN VACUUM ULTRAVIOLET [J].
HAENSEL, R ;
KEITEL, G ;
KOCH, EE ;
SKIBOWSKI, M ;
SCHREIBER, P .
PHYSICAL REVIEW LETTERS, 1969, 23 (20) :1160-+
[8]   NEW METHOD FOR CALCULATING 1-PARTICLE GREENS FUNCTION WITH APPLICATION TO ELECTRON-GAS PROBLEM [J].
HEDIN, L .
PHYSICAL REVIEW, 1965, 139 (3A) :A796-+
[9]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[10]   Fully self-consistent GW self-energy of the electron gas [J].
Holm, B ;
von Barth, U .
PHYSICAL REVIEW B, 1998, 57 (04) :2108-2117