Abstract : We present a TDDFT code developed in the framework of NOSSI project. The code is capable to compute absorption spectra in linear response regime. The method for calculating of the Kohn-Sham response function is outlined. Complexity of the method is discussed in detail. Testing of the shared memory parallelization and examples of spectra are given.
https://hal.inria.fr/inria-00437612 Contributor : Petr KovalConnect in order to contact the contributor Submitted on : Tuesday, December 1, 2009 - 9:30:47 AM Last modification on : Saturday, June 25, 2022 - 10:31:56 AM Long-term archiving on: : Tuesday, October 16, 2012 - 3:06:55 PM
Petr Koval, Olivier Coulaud, Dietrich Foerster. Current state of the art in TDDFT code. NOSSI 2009 (annual meeting), Oct 2009, Biarritz, France. pp.40. ⟨inria-00437612⟩