DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

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Authors: Alexander Humeniuk, Roland Mitrić

Journal title: Computer Physics Communications

Journal number: 221

Journal publisher: Elsevier BV

Published year: 2017

Published pages: 174-202

DOI identifier: 10.1016/j.cpc.2017.08.012

ISSN: 0010-4655