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Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density

Marcos Casanova-Páez1, Lars Goerigk1

  • 1School of Chemistry, The University of Melbourne, Melbourne, Victoria, Australia.

Journal of Computational Chemistry
|January 8, 2021
PubMed

Keywords:
TD-DFTcharge-transfer excitationsdensity functional theorydouble-hybrid density functionalsrange separation

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