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Electron affinities of Ag4 and Au4

✍ Scribed by K.K. Das; K. Balasubramanian

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 338 KB
Volume: 176
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)90257-a

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✦ Synopsis

Electron affinities of A& and Au, as well as Ag, and AuS are computed using complete-active space multi-configuration selfconsistent field (CAS MCSCF) followed by singles t doubles Cl+Q (SDCI t Q) and multi-reference singles t doubles CI t Q (MRSDCI t Q) calculations which included up to 1.2 million configurations. Our computed electron affinities for the tetramers when scaled by a factor 1.3 and 1.35 for Ag, and Au,, respectively, are in good agreement with the recent experimental values of Smalley and co-workers. The electron affinities of tetramers are found to be considerably smaller than trimers.

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