DOI: 10.1063/1.1436465. Structure and stability of small copper clusters

Structure and stability of small copper clusters

10.1063/1.1436465

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The structure and stability of small copper clusters with up to ten atoms has been determined both for the neutral and the ionic clusters with density functional calculations. The calculations were of all-electron type. The structure optimization and frequency analysis were performed on the local density approximation level with the exchange correlation functional by Vosko, Wilk, and Nusair. Subsequently improved calculations for the stability were based on the generalized gradient approximation, where the exchange correlation functional of Perdew and Wang was used. Finally, the binding energies, ionization potentials, electron affinities, and separation energies were calculated. The results show that the trends are in agreement with available experimental data.

Bibliography

Jug, K., Zimmermann, B., Calaminici, P., & KÃ¶ster, A. M. (2002). Structure and stability of small copper clusters. The Journal of Chemical Physics, 116(11), 4497â4507.

Authors 4

Karl Jug (first)
Bernd Zimmermann (additional)
Patrizia Calaminici (additional)
Andreas M. Köster (additional)

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Dates

Type	When
Created	23 years ago (July 26, 2002, 9:27 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 10:07 a.m.)
Indexed	2 weeks, 6 days ago (Aug. 2, 2025, 1:13 a.m.)
Issued	23 years, 5 months ago (March 15, 2002)
Published	23 years, 5 months ago (March 15, 2002)
Published Print	23 years, 5 months ago (March 15, 2002)

Funders 0

None

BibTeX

@article{Jug_2002, title={Structure and stability of small copper clusters}, volume={116}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1436465}, DOI={10.1063/1.1436465}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Jug, Karl and Zimmermann, Bernd and Calaminici, Patrizia and Köster, Andreas M.}, year={2002}, month=mar, pages={4497–4507} }

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