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

被引:124
|
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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