Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra

Details Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra

2003-10-21

arxiv.org/abs/cond-mat/0310495v1

Physics

Condensed Matter

Materials Science

4 pages, 2 figures. To appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.91.256402

A robust and efficient frequency dependent and non-local exchange-correlation $f_{xc}(r,r';\omega)$ is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the Bethe-Salpeter polarization function. As an illustration, we compute the optical spectra of LiF, \sio and diamond and the finite momentum transfer energy-loss spectrum of LiF. The TDDFT results reproduce extremely well the excitonic effects embodied in the Bethe-Salpeter approach, both for strongly bound and resonant excitons. We provide a working expression for $f_{xc}$ that is fast to evaluate and easy to implement.

Affiliated with

Also associated with

No associations

Rating

Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Bound excitons in time-dependent density-functional-theory: optical and energy-loss spectra will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-509699