Al3+-He: stability and spectroscopy

Wright, Timothy G., Lee, Edmond P.F., Hotokka, Matti and Pyykko, Pekka (2004) Al3+-He: stability and spectroscopy. Chemical Physics Letters, 392 (1-3), 281-283. (doi:10.1016/j.cplett.2004.05.065).

Record type: Article

Abstract

Recent work on the Al3+He complex is compared to two other pieces of work. Erroneous vibrational spectroscopic constants published in an earlier work for Al3+-He, V3+-He and Ti2+-He are corrected. An infinite basis set extrapolated D, value for Al3+-He is calculated.

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Published date: 1 July 2004

Keywords: basis-set convergence, ab-initio structures, correlated calculations, ne

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Identifiers

Local EPrints ID: 20344

URI: http://eprints.soton.ac.uk/id/eprint/20344

DOI: doi:10.1016/j.cplett.2004.05.065

ISSN: 0009-2614

PURE UUID: 05ffa31f-4211-44a0-8ce8-8755e03ac173

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Date deposited: 16 Feb 2006

Last modified: 15 Mar 2024 06:24

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Contributors

Author: Timothy G. Wright

Author: Edmond P.F. Lee

Author: Matti Hotokka

Author: Pekka Pyykko

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