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A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters

✍ Scribed by Singh, Ngangbam Bedamani; Sarkar, Utpal


Book ID
126242139
Publisher
Taylor and Francis Group
Year
2014
Tongue
English
Weight
660 KB
Volume
40
Category
Article
ISSN
0892-7022

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A density functional study of small nick
✍ M. C. Michelini; R. Pis Diez; A. H. Jubert πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 304 KB πŸ‘ 2 views

Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra