✦ LIBER ✦

Excess electrons in ammonia clusters

✍ Scribed by R.N. Barnett; Uzi Landman; C.L. Cleveland; N.R. Kestner; Joshua Jortner

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 424 KB
Volume: 148
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)80309-9

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✦ Synopsis

Electron attachment and localization to ammonia clusters, (NHs); (n= 16-256), is studied using path-integral molecular simulations, employing an electron-molecule pseudopotential which includes Coulomb, polarization, exclusion and exchange contributions. Due to the nature of the interactions the ammonia clusters do not form stable well-bound surface states for any size, in contrast to medium-size water clusters. The onset of bound excess electron states in ammonia clusters occurs for n> 32, via an internal localization mode, in agreement with experiment.

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