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Description of ground and excited electronic states by ensemble density functional method with extended active space

Michael Filatov1, Todd J Martínez2, Kwang S Kim1

  • 1Department of Chemistry, School of Natural Sciences, Ulsan National Institute of Science and Technology (UNIST), Ulsan 44919, South Korea.

The Journal of Chemical Physics
|August 17, 2017
PubMed

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