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Document type:
Journal Article 
Author(s):
Koitz, R.; Soini, T. M.; Genest, A.; Trickey, S. B.; Rosch, N. 
Title:
Scalable properties of metal clusters: A comparative study of modern exchange-correlation functionals 
Abstract:
The performance of eight generalized gradient approximation exchange-correlation (xc) functionals is assessed by a series of scalar relativistic all-electron calculations on octahedral palladium model clusters Pd-n with 
Congress title:
ISI Document Delivery No.: 981CU Times Cited: 1 Cited Reference Count: 52 Koitz, Ralph Soini, Thomas M. Genest, Alexander Trickey, S. B. Roesch, Notker International Graduate School of Science and Engineering (IGSSE) of TU Munchen; Fonds der Chemischen Industrie (Germany); U.S. Dept. of Energy [DE-SC-0002139] We thank Dr. Alexei V. Matveev for his contribution to implementing the xc functionals and for helpful discussions. T. S is grateful for financial support by the International Graduate Sc...    »
 
Journal title:
Journal of Chemical Physics 
Year:
2012 
Journal volume:
137 
Journal issue:
Pages contribution:
Fulltext / DOI: