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turboTDDFT 2.0 - Hybrid functionals and new algorithms within time-dependent density-functional perturbation theory.

Xiaochuan GeSimon J. BinnieDario RoccaRalph GebauerStefano Baroni
Published in: Comput. Phys. Commun. (2014)
Keyphrases
  • perturbation theory
  • orders of magnitude
  • graph theory
  • search algorithm
  • relational databases
  • evolutionary algorithm