Scalable properties of metal clusters: A comparative DFT study of ionic-core treatments
Dokumenttyp:
Journal Article
Autor(en):
Marchal, R.; Yudanov, I. V.; Matveev, A. V.; Rosch, N.
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