Citation: Han Xing LIU. THE ELECTRONIC STRUCTURE AND THE IONIZATION POTENTIALS OF Ag_n AND Au_n(n=2,3,4)[J]. Chinese Chemical Letters, ;1993, 4(11): 1017-1020. shu

THE ELECTRONIC STRUCTURE AND THE IONIZATION POTENTIALS OF Ag_n AND Au_n(n=2,3,4)

Han Xing LIU

Advanced Materials Research Institute, Wuhan university of Technology, Wuhan 430070

Received Date: 8 June 1993

Fund Project: The project supported by National Nature Science Foundation of China and National Advanced Materials Commlttee of China.

The electronic structure of Agⁿ and Auⁿ (n=2, 3, 4) calculated by DV-X_α method, are different each other, and the ionization potentials of Agⁿ and Auⁿ as a function of cluster size n exhibit an interesting "saw-tooth" behavior. The interactions between atom Ag-Ag and Au-Au in Ag², Au² for different bond length are analyzed. The DOS of the orbitals shows those interactions directly.
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