Some recent applications of ab initio electronic structure methods to metal,semimetal, and molecular clusters |
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| Authors: | Binning R. C. Ishikawa Yasuyuki |
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| Affiliation: | (1) Department of Physical Sciences, Kutztown University, Kutztown, Pennsylvania;(2) Department of Chemistry and the Chemical Physics Program, University of Puerto Rico, P.O. Box 23346, 00931-003346 San Juan, Puerto Rico |
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| Abstract: | Recent experimental and theoretical cluster studies are reviewed. Areas of current and developing interest in theoretical and computational chemistry are identified. Some promising methods applied to metal clusters, main group clusters, molecular clusters, spectroscopy, and models of cluster-molecule reactions are indicated. Results of calculations on small hydrogenated lithium clusters and hydrated sodium clusters are discussed in some detail. |
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| Keywords: | Metal clusters molecular clusters ab initio methods Monte Carlo simulated annealing |
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