Function-Space-Based Solution Scheme for the Size-Modified Poisson–Boltzmann Equation in Full-Potential DFT

Titel:: Function-Space-Based Solution Scheme for the Size-Modified Poisson–Boltzmann Equation in Full-Potential DFT
Autor(en):: Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten
Zeitschriftentitel:: J. Chem. Theory Comput.
Jahr:: 2016
Band / Volume:: 12
Heft / Issue:: 8
Seitenangaben Beitrag:: 4052-4066
Volltext / DOI:: doi:10.1021/acs.jctc.6b00435
Verlag / Institution:: American Chemical Society (ACS)
E-ISSN:: 1549-96181549-9626
Publikationsdatum:: 09.08.2016
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