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1 Ergebnisse
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Range-Separated Local Hybrid Functionals with Small Fractio..:
Fürst, Susanne
;
Kaupp, Martin
;
Wodyński, Artur
Journal of Chemical Theory and Computation. 19 (2023) 23 - p. 8639-8653 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00877
RT Journal T1 <Title>Range-Separated Local Hybrid Functionals with Small Fractional-Charge and Fractional-Spin Errors: Escaping the Zero-Sum Game of DFT Functionals</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00877&Exemplar=1&LAN=DE A1 Fürst, Susanne A1 Kaupp, Martin A1 Wodyński, Artur PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 23 SP 8639 OP 8653 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00877 DO https://doi.org/10.1021/acs.jctc.3c00877 SF ELIB - SuUB Bremen
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