Excitonic effects in time-dependent density-functional theory: An analytically solvable model

Details Excitonic effects in time-dependent density-functional theory: An analytically solvable model Excitonic effects in time-dependent density-functional theory: An analytically solvable model

2004-06-15

arxiv.org/abs/cond-mat/0406344v1

Phys. Rev. B 70, 245119 (2004)

Physics

Condensed Matter

Other Condensed Matter

RevTeX 4, 12 pages, 13 figures

Scientific paper

10.1103/PhysRevB.70.245119

We investigate the description of excitonic effects within time-dependent density-functional theory (TDDFT). The exchange-correlation kernel f_xc introduced in TDDFT allows a clear separation of quasiparticle and excitonic effects. Using a diagrammatic representation for f_xc, we express its excitonic part f_xc^Ex in terms of the effective vertex function Lambda. The latter fulfills an integral equation which thereby establishes the exact correspondence between TDDFT and the standard many-body approach based on Bethe-Salpeter equation (BSE).The diagrammatic structure of the kernel in the equation for Lambda suggests the possibility of strong cancellation effects. Should the cancellation take place, already the first-order approximation to f_xc^Ex is sufficient. A potential advantage of TDDFT over the many-body BSE method is thus dependent on the efficiency of the above-quoted cancellation. We explicitly verify this for an analytically solvable two-dimensional two-band model. The calculations confirm that the low-order f_xc^Ex perfectly describes the bound exciton as well as the excitonic effects in the continuous spectrum in a wide range of the electron--hole coupling strength.

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