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1 Ergebnisse
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Multicomponent CASSCF Revisited: Large Active Spaces Are Ne..:
Fajen, O. Jonathan
;
Brorsen, Kurt R.
Journal of Chemical Theory and Computation. 17 (2021) 2 - p. 965-974 , 2021
Link:
https://doi.org/10.1021/acs.jctc.0c01191
RT Journal T1 <Title>Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.0c01191&Exemplar=1&LAN=DE A1 Fajen, O. Jonathan A1 Brorsen, Kurt R. PB American Chemical Society (ACS) YR 2021 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 17 IS 2 SP 965 OP 974 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.0c01191 DO https://doi.org/10.1021/acs.jctc.0c01191 SF ELIB - SuUB Bremen
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