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
Contributeur : Petr Koval
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Soumis le : mardi 1 décembre 2009 - 09:30:47
Dernière modification le : lundi 22 janvier 2018 - 11:02:02
Document(s) archivé(s) le : mardi 16 octobre 2012 - 15:06:55
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〉
