Date
1992Metadata
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Aufsatz
Electronic structure calculations of small AI_n (n = 2 - 8) clusters
Abstract
The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.
Citation
In: Zeitschrift für Physik / D, Atoms, molecules and clusters. Berlin [u.a.] : Springer. 22 (1992), S. 641-644Citation
@article{urn:nbn:de:hebis:34-2008080123002,
author={Bastug, Turgut and Sepp, Wolf-Dieter and Fricke, Burkhard and Heinemann, Dirk and Kolb, Dietmar},
title={Electronic structure calculations of small AI_n (n = 2 - 8) clusters},
year={1992}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1992$n1992 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008080123002 3000 Bastug, Turgut 3010 Sepp, Wolf-Dieter 3010 Fricke, Burkhard 3010 Heinemann, Dirk 3010 Kolb, Dietmar 4000 Electronic structure calculations of small AI_n (n = 2 - 8) clusters / Bastug, Turgut 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008080123002=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008080123002
2008-08-01T13:23:29Z 2008-08-01T13:23:29Z 1992 0722-3277 0178-7683 urn:nbn:de:hebis:34-2008080123002 http://hdl.handle.net/123456789/2008080123002 322089 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Electronic structure calculations of small AI_n (n = 2 - 8) clusters Aufsatz The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra. open access In: Zeitschrift für Physik / D, Atoms, molecules and clusters. Berlin [u.a.] : Springer. 22 (1992), S. 641-644 Bastug, Turgut Sepp, Wolf-Dieter Fricke, Burkhard Heinemann, Dirk Kolb, Dietmar 31.20.Ej 36.40.+d
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