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1 Ergebnisse
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Efficient implementation of the analytic second derivatives..:
Bykov, Dmytro
;
Petrenko, Taras
;
Izsák, Róbert
...
Molecular Physics. 113 (2015) 13-14 - p. 1961-1977 , 2015
Link:
https://doi.org/10.1080/00268976.2015.1025114
RT Journal T1
Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations
UL https://suche.suub.uni-bremen.de/peid=cr-10.1080_00268976.2015.1025114&Exemplar=1&LAN=DE A1 Bykov, Dmytro A1 Petrenko, Taras A1 Izsák, Róbert A1 Kossmann, Simone A1 Becker, Ute A1 Valeev, Edward A1 Neese, Frank PB Informa UK Limited YR 2015 SN 0026-8976 SN 1362-3028 JF Molecular Physics VO 113 IS 13-14 SP 1961 OP 1977 LK http://dx.doi.org/https://doi.org/10.1080/00268976.2015.1025114 DO https://doi.org/10.1080/00268976.2015.1025114 SF ELIB - SuUB Bremen
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