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Nonadditive effects in metal clusters and chemisorption. Pseudopotential study of palladium clusters
Author(s) -
GarcíaPrieto J.,
Novaro O.
Publication year - 1980
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180232
Subject(s) - pseudopotential , chemisorption , palladium , cluster (spacecraft) , chemistry , metal , computational chemistry , atomic physics , chemical physics , physics , catalysis , adsorption , organic chemistry , computer science , programming language
The analysis of nonadditive effects in small palladium clusters via LCAO‐MO‐SCF calculations using the nonempirical pseudopotential model is presented. The results are tentatively correlated with previous studies on various metal clusters (Li, Be, Mg, etc.) for which a good knowledge of multibody terms has provided a valuable guide for understanding the cluster stabilities and their chemisorption capacity.