Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior
- 23 July 2002
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 66 (3) , 035114
- https://doi.org/10.1103/physrevb.66.035114
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 as 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.Keywords
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