Global structure optimization study on Au 2-20 |
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Authors: | Y Dong M Springborg |
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Institution: | (1) Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrücken, Germany |
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Abstract: | The geometries and electronic properties of the most stable small
Aun clusters with n=2 to 20 are presented.
An intensive search for low-energy minima of Aun clusters was carried
through using a density-functional tight-binding method combined with genetic algorithms for an unbiased global structure
optimization. The structural and energetic properties of the small gold clusters are compared with those of planar Aun clusters with n=5 to 15. |
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Keywords: | 36 40 -c Atomic and molecular clusters 61 46 Bc Clusters |
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