✦ LIBER ✦
Direct evaluation via forced oscillation method of the electronic state density of sizable clusters
✍ Scribed by R. Conte; G. P. Arrighini; C. Guidotti
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 312 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
Abstract
Metal clusters described in the framework of a simple tight binding model have been studied. Application of a dynamical approach (FOM), jointly with efficient storage of the sparse Hamiltonian matrix involved, is shown to allow direct evaluation of the electronic state density of sizable cubic‐symmetry aggregates. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 584–593, 2007