DOI: 10.1002/bbpc.19940980622. On the metallic droplet model for successive ionization potentials of metal clusters ‐ relativistic electronic structure investigations of the icosahedral gold cluster Au<sub>55</sub>

On the metallic droplet model for successive ionization potentials of metal clusters ‐ relativistic electronic structure investigations of the icosahedral gold cluster Au55

10.1002/bbpc.19940980622

Crossref journal-article

Wiley

Berichte der Bunsengesellschaft für physikalische Chemie (311)

Abstract

AbstractWe have carried out relativistic electronic structure calculations on the naked cluster Au55 in icosahedral geometry using the linear combination of Gaussian‐type orbitals density functional (LCGTO‐DF) method. The one‐electron level spectrum is discussed and compared to that of the jellium model which is able to reproduce the s‐type level manifold of Au55 only qualitatively. Furthermore, a series of successive ionization potentials and electron affinities of the cluster has been calculated. The remarkable agreement of the all‐electron LCGTO‐DF results with those of the metallic droplet model indicates that the naked cluster Au55 acts like an almost perfect electron reservoir. In this respect a gold particle of about 50 atoms may mark the onset of the metallic regime.

Bibliography

HÃ¤berlen, O. D., Chung, S., & RÃ¶sch, N. (1994). On the metallic droplet model for successive ionization potentials of metal clusters â relativistic electronic structure investigations of the icosahedral gold cluster Au55. Berichte Der Bunsengesellschaft FÃ¼r Physikalische Chemie, 98(6), 882â885. Portico.

Authors 3

Oliver D. Häberlen (first)
Sai‐Cheong Chung (additional)
Notker Rösch (additional)

References 29 Referenced 19

{'key': 'e_1_2_1_2_2', 'volume-title': 'Clusters and Colloids — From Theory to Applications', 'author': 'Rösch N.', 'year': '1994'} / Clusters and Colloids — From Theory to Applications by Rösch N. (1994)
10.1002/anie.199302501
10.1103/PhysRevB.29.1558
10.1103/RevModPhys.65.677
10.1103/PhysRevB.46.12649
10.1016/0009-2614(92)85439-H
10.1002/bbpc.19920960924
10.1007/BF01426093
10.1016/0009-2614(93)85068-Y
10.1016/0009-2614(90)85218-2
10.1103/PhysRevLett.46.749
10.1063/1.458177
10.1063/1.462626
10.1016/0009-2614(92)87033-L
10.1063/1.438728
10.1016/S0065-3276(08)60603-6
10.1139/p80-159
10.1002/anie.198913571
10.1021/ic00021a005
O. D.Häberlen H.Schmidbaur andN.Rösch submitted.
10.1103/PhysRevB.35.7749
10.1063/1.454661
10.1103/PhysRevB.37.6175
10.1063/1.461233
10.1016/0009-2614(88)87376-7
10.1063/1.461927
10.1016/0009-2614(78)85330-5
10.1063/1.463097
{'key': 'e_1_2_1_30_2', 'volume-title': 'Quantum Theory of Molecules and Solids', 'author': 'Slater J. C.', 'year': '1974'} / Quantum Theory of Molecules and Solids by Slater J. C. (1974)

Dates

Type	When
Created	13 years ago (July 26, 2012, 6:05 a.m.)
Deposited	1 year, 9 months ago (Oct. 23, 2023, 7:49 p.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 5:56 a.m.)
Issued	31 years, 2 months ago (June 1, 1994)
Published	31 years, 2 months ago (June 1, 1994)
Published Online	15 years, 3 months ago (May 8, 2010)
Published Print	31 years, 2 months ago (June 1, 1994)

Funders 0

None

BibTeX

@article{H_berlen_1994, title={On the metallic droplet model for successive ionization potentials of metal clusters ‐ relativistic electronic structure investigations of the icosahedral gold cluster Au55}, volume={98}, ISSN={0005-9021}, url={http://dx.doi.org/10.1002/bbpc.19940980622}, DOI={10.1002/bbpc.19940980622}, number={6}, journal={Berichte der Bunsengesellschaft für physikalische Chemie}, publisher={Wiley}, author={Häberlen, Oliver D. and Chung, Sai‐Cheong and Rösch, Notker}, year={1994}, month=jun, pages={882–885} }

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