Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior

Abstract

We present an exact expression for the frequency-dependent Kohn-Sham exact-exchange (EXX) kernel for periodic insulators, which can be employed for the calculation of electronic response properties within time-dependent (TD) density-functional theory. It is shown that the EXX kernel has a long-wavelength divergence behavior of the exact full exchange-correlation kernel and thus rectifies one serious shortcoming of the adiabatic local-density approximation and generalized-gradient approximations kernels. A comparison between the TDEXX and the GW-approximation-Bethe-Salpeter-equation approach is also made.

two column format 6 pages + 1 figure, to be publisehd in Physical Review B

References in corpus (2)

• Excitonic effects in solids described by time-dependent density functional theory
• Many-body GW Calculations of Ground-State Properties: Quasi-2D Electron Systems and van der Waals Forces

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