pith. sign in

arxiv: cond-mat/0205579 · v1 · pith:PKVKFQFYnew · submitted 2002-05-28 · ❄️ cond-mat.mtrl-sci

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

classification ❄️ cond-mat.mtrl-sci
keywords kernelexactbehaviorinsulatorskohn-shamlong-wavelengthadiabaticapproach
0
0 comments X
read the original 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.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.