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Automatic Differentiation for the Direct Minimization Appro..:
Yoshikawa, Naruki
;
Sumita, Masato
The Journal of Physical Chemistry A. 126 (2022) 45 - p. 8487-8493 , 2022
Link:
https://doi.org/10.1021/acs.jpca.2c05922
RT Journal T1 <Title>Automatic Differentiation for the Direct Minimization Approach to the Hartree–Fock Method</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jpca.2c05922&Exemplar=1&LAN=DE A1 Yoshikawa, Naruki A1 Sumita, Masato PB American Chemical Society (ACS) YR 2022 SN 1089-5639 SN 1520-5215 JF The Journal of Physical Chemistry A VO 126 IS 45 SP 8487 OP 8493 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.2c05922 DO https://doi.org/10.1021/acs.jpca.2c05922 SF ELIB - SuUB Bremen
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