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1 Ergebnisse
1
Toward Reliable Dipole Moments without Single Excitations: ..:
Chakraborty, Rahul
;
de Moraes, Matheus Morato F.
;
Boguslawski, Katharina
...
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4689-4702 , 2024
Link:
https://doi.org/10.1021/acs.jctc.4c00471
RT Journal T1
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.4c00471&Exemplar=1&LAN=DE A1 Chakraborty, Rahul A1 de Moraes, Matheus Morato F. A1 Boguslawski, Katharina A1 Nowak, Artur A1 Świerczyński, Julian A1 Tecmer, Paweł 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 4689 OP 4702 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.4c00471 DO https://doi.org/10.1021/acs.jctc.4c00471 SF ELIB - SuUB Bremen
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