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- Dokumenttyp:
- Journal Article
- Autor(en):
- Marchal, R.; Yudanov, I. V.; Matveev, A. V.; Rosch, N.
- Titel:
- Scalable properties of metal clusters: A comparative DFT study of ionic-core treatments
- Abstract:
- To assess various ionic-core approximations we carried out density functional calculations on a series of octahedral palladium and gold model clusters Mn with
- Kongresstitel:
- ISI Document Delivery No.: 179YU Times Cited: 0 Cited Reference Count: 50 Marchal, Remi Yudanov, Ilya V. Matveev, Alexei V. Roesch, Notker Wacker-Institut fur Siliziumchemie at TU Munchen We thank Dr. Sven Kruger for very helpful discussions. R. M. is grateful for financial support by the Wacker-Institut fur Siliziumchemie at TU Munchen. We thank Leibniz Rechenzentrum Munchen for providing generous computing resources. 0 Elsevier science bv Amsterdam
- Zeitschriftentitel:
- Chemical Physics Letters
- Jahr:
- 2013
- Band / Volume:
- 578
- Seitenangaben Beitrag:
- 92-96
- Volltext / DOI:
- doi:10.1016/j.cplett.2013.05.063
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