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A self-interaction-free local hybrid functional : Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

Title data

Schmidt, Tobias ; Kraisler, Eli ; Makmal, Adi ; Kronik, Leeor ; Kümmel, Stephan:
A self-interaction-free local hybrid functional : Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues.
In: The Journal of Chemical Physics. Vol. 140 (14 May 2014) Issue 18 . - Art.Nr. 18A510.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.4865942

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV > Chair Theoretical Physics IV - Univ.-Prof. Dr. Stephan Kümmel
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics IV
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 23 Dec 2020 08:24
Last Modified: 20 Jan 2021 08:49
URI: https://eref.uni-bayreuth.de/id/eprint/61447