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1 Ergebnisse
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A parallel implementation of the analytic nuclear gradient ..:
Liu, Fenglai
;
Gan, Zhengting
;
Shao, Yihan
...
Molecular Physics. 108 (2010) 19-20 - p. 2791-2800 , 2010
Link:
https://doi.org/10.1080/00268976.2010.526642
RT Journal T1
A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation
UL https://suche.suub.uni-bremen.de/peid=cr-10.1080_00268976.2010.526642&Exemplar=1&LAN=DE A1 Liu, Fenglai A1 Gan, Zhengting A1 Shao, Yihan A1 Hsu, Chao-Ping A1 Dreuw, Andreas A1 Head-Gordon, Martin A1 Miller, Benjamin T. A1 Brooks, Bernard R. A1 Yu, Jian-Guo A1 Furlani, Thomas R. A1 Kong, Jing PB Informa UK Limited YR 2010 SN 0026-8976 SN 1362-3028 JF Molecular Physics VO 108 IS 19-20 SP 2791 OP 2800 LK http://dx.doi.org/https://doi.org/10.1080/00268976.2010.526642 DO https://doi.org/10.1080/00268976.2010.526642 SF ELIB - SuUB Bremen
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