Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients
Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients
We calculate accurate potential energy curves for HeO-, NeO-, and ArO-, including the full counterpoise correction and allowing for spin-orbit effects. Comparison with previous curves is presented, where these are available. The three curves, (2)Sigma(1/2)(+) and (2)Pi(1/2), (2)Pi(3/2) are used to derive spectroscopic constants and to calculate the transport coefficients. for O- moving in a bath of the respective rare gas. Conclusions are made based on a comparison with the available data.
na+?-rg, photoelectron-spectroscopy, complexes rg, na+, rn, ions
Viehland, Larry A.
04727643-a876-49c0-a9ff-8468ceb0b7aa
Webb, Rhonda
b9a447a3-9a0f-428b-8669-2ed1ee667187
Lee, Edmond P.F.
f47c6d5d-2d1f-4f03-a3ff-03658812d80b
Wright, Timothy G.
20c2bf2d-6181-4571-9fdc-af171ad62cd5
15 March 2005
Viehland, Larry A.
04727643-a876-49c0-a9ff-8468ceb0b7aa
Webb, Rhonda
b9a447a3-9a0f-428b-8669-2ed1ee667187
Lee, Edmond P.F.
f47c6d5d-2d1f-4f03-a3ff-03658812d80b
Wright, Timothy G.
20c2bf2d-6181-4571-9fdc-af171ad62cd5
Viehland, Larry A., Webb, Rhonda, Lee, Edmond P.F. and Wright, Timothy G.
(2005)
Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients.
Journal of Chemical Physics, 122 (11).
(doi:10.1063/1.1861874).
Abstract
We calculate accurate potential energy curves for HeO-, NeO-, and ArO-, including the full counterpoise correction and allowing for spin-orbit effects. Comparison with previous curves is presented, where these are available. The three curves, (2)Sigma(1/2)(+) and (2)Pi(1/2), (2)Pi(3/2) are used to derive spectroscopic constants and to calculate the transport coefficients. for O- moving in a bath of the respective rare gas. Conclusions are made based on a comparison with the available data.
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Published date: 15 March 2005
Keywords:
na+?-rg, photoelectron-spectroscopy, complexes rg, na+, rn, ions
Organisations:
Chemistry
Identifiers
Local EPrints ID: 20926
URI: http://eprints.soton.ac.uk/id/eprint/20926
ISSN: 0021-9606
PURE UUID: 75ff0d98-82cc-4153-8394-5b0f65d70ce5
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Date deposited: 01 Mar 2006
Last modified: 15 Mar 2024 06:27
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Contributors
Author:
Larry A. Viehland
Author:
Rhonda Webb
Author:
Edmond P.F. Lee
Author:
Timothy G. Wright
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