DOI: 10.1002/bbpc.19840880314. Electronic Structure and Properties of Small Al and Ge Clusters

Electronic Structure and Properties of Small Al and Ge Clusters

10.1002/bbpc.19840880314

Crossref journal-article

Wiley

Berichte der Bunsengesellschaft für physikalische Chemie (311)

Abstract

AbstractStabilities, geometries and electronic structures of Aln (n = 3–5) and Gem (m = 3–6) clusters have been determined by means of pseudopotential MRD CI calculations. Most stable Al clusters are characterized by high spin multiplicities and can be considered as deformed sections of the Al fcc crystal lattice. On the contrary, most favoured Ge clusters have singlet ground states and geometrical structures which cannot be identified as parts of the diamond‐like Ge crystal lattice. – The differences in the properties of Al and Ge clusters can be rationalized on the basis of their respective electronic structures.

Bibliography

Pacchioni, G., & KouteckÃ½, J. (1984). Electronic Structure and Properties of Small Al and Ge Clusters. Berichte Der Bunsengesellschaft FÃ¼r Physikalische Chemie, 88(3), 242â245. Portico.

Authors 2

Gianfranco Pacchioni (first)
Jaroslav Koutecký (additional)

References 17 Referenced 84

10.1063/1.440991
10.1021/j100217a004
10.1002/bbpc.19830870613
{'key': 'e_1_2_1_4_2', 'first-page': '1610', 'volume': '22', 'author': 'Honig R. E.', 'year': '1954', 'journal-title': 'J. Chem.'} / J. Chem. by Honig R. E. (1954)
10.1063/1.1727688
10.1021/ic50201a029
10.1016/0039-6028(82)90658-6
10.1016/0378-5963(82)90062-9
10.1007/BF00963468
10.1007/BF02394557
10.1007/BF00554315
10.1002/bbpc.19830870610
10.1080/00268978300101501
10.1063/1.439012
10.1016/0301-0104(82)87071-7
The theoreticalEb/nrefer to the full CI energy of the system and have been computed asEfullCI(Gen) –nEfullCI(Ge).
10.1103/PhysRevB.27.6553

Dates

Type	When
Created	13 years, 1 month ago (July 30, 2012, 6:42 a.m.)
Deposited	1 year, 10 months ago (Oct. 19, 2023, 6:44 p.m.)
Indexed	2 months, 2 weeks ago (June 20, 2025, 4:08 a.m.)
Issued	41 years, 6 months ago (March 1, 1984)
Published	41 years, 6 months ago (March 1, 1984)
Published Online	15 years, 3 months ago (May 7, 2010)
Published Print	41 years, 6 months ago (March 1, 1984)

Funders 0

None

BibTeX

@article{Pacchioni_1984, title={Electronic Structure and Properties of Small Al and Ge Clusters}, volume={88}, ISSN={0005-9021}, url={http://dx.doi.org/10.1002/bbpc.19840880314}, DOI={10.1002/bbpc.19840880314}, number={3}, journal={Berichte der Bunsengesellschaft für physikalische Chemie}, publisher={Wiley}, author={Pacchioni, Gianfranco and Koutecký, Jaroslav}, year={1984}, month=mar, pages={242–245} }

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