Prediction of electronic couplings for molecular charge transfer using optimally tuned range-separated hybrid functionals

Titel:: Prediction of electronic couplings for molecular charge transfer using optimally tuned range-separated hybrid functionals
Dokumenttyp:: Zeitschriftenaufsatz
Autor(en):: Manna, Debashree; Blumberger, Jochen; Martin, Jan M. L.; Kronik, Leeor
Zeitschriftentitel:: Molecular Physics
Jahr:: 2018
Band / Volume:: 116
Heft / Issue:: 19-20
Seitenangaben Beitrag:: 2497-2505
Volltext / DOI:: doi:10.1080/00268976.2018.1489084
Verlag / Institution:: Informa UK Limited
E-ISSN:: 0026-89761362-3028
Publikationsdatum:: 26.06.2018
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