Software for the frontiers of quantum chemistry: an overview of developments in the q-chem 5 package

HIGHLIGHTS

• who: Evgeny Epifanovsky et al. from the Inc, Owens Drive, Suite, Pleasanton, California, USA Research School of Chemistry, Australian National University, Canberra, Australia have published the research work: Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package, in the Journal: (JOURNAL)
• what: This paper addresses progress made since 2015 by the relatively large team of academic developers and the relatively small team of professional programmers who contribute to the package. This approach has been given the unwieldy moniker of "real-time" TDDFT although calling it TDKS theory . . .
  

   

  

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