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1 Ergebnisse
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Orbital-Resolved DFT+U for Molecules and Solids:
Macke, Eric
;
Timrov, Iurii
;
Marzari, Nicola
.
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4824-4843 , 2024
Link:
https://doi.org/10.1021/acs.jctc.3c01403
RT Journal T1 <Title>Orbital-Resolved DFT+U for Molecules and Solids</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c01403&Exemplar=1&LAN=DE A1 Macke, Eric A1 Timrov, Iurii A1 Marzari, Nicola A1 Ciacchi, Lucio Colombi PB American Chemical Society (ACS) YR 2024 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 20 IS 11 SP 4824 OP 4843 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c01403 DO https://doi.org/10.1021/acs.jctc.3c01403 SF ELIB - SuUB Bremen
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