Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters NaN (N = 40–147): comparison with the experimental photoelectron spectra
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Summary
Density functional calculations have been carried out to obtain low energy equilibrium geometries of anionic and neutral sodium clusters over a wide range of sizes and the agreement between theory and experiment is good for almost all the clusters and the changes in the spectrum with size correlate very well with the changes with the shapes.
- Type
- article
- Published
- 2011-10-12
- Cited by
- 5
- References
- 66
- OpenAlex
- https://openalex.org/W21937791
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:31300504
Keywords
Computer science
References
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Cited by
- Partial Ionic Bonding in Homogeneous Sodium Clusters
- Ground state structures, electronic and optical properties of medium-sized Nan+ (n = 9, 15, 21, 26, 31, 36, 41, 50 and 59) clusters from ab initio genetic algorithm
- Scaling up the shape: a novel growth pattern of gallium clusters.
- Mapping and classifying molecules from a high-throughput structural database
- Author index with titles (volume 23)
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