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The ionization potentials of Agn and Aun and binding energies of Agn, Aun, Agn+ and Aun+ (n = 1–4)

✍ Scribed by K. Balasubramanian; PingYi Feng

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 607 KB
Volume: 159
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(89)87515-3

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✦ Synopsis

The ionization potentials and binding energies of gold and silver clusters and their positive ions containing up to four atoms are investigated using a complete active space MCSCF followed by multi-reference singles+doubles CI which included up to 1.9 million conf~urations.

The ionization potentials for both Au. and Ag,, as a function of cluster size n exhibit an interesting "sawtooth" behavior. The total binding energies of both the clusters and ions as a function of size reveal that the tetramers of gold and silver exhibit unusual stabilities. The gold clusters in general have larger AEs and IPs in comparison to silver clusters due to relativistic effects.

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