Spatial averaging of the potential energy function facilitates the search for the most stable configuration of a molecular system. Recently some global optimization methods of this kind have been designed in the literature that rely on physical phenomena such as diffusion, wave function evolution in
✦ LIBER ✦
Minimum Inter-Particle Distance at Global Minimizers of Lennard-Jones Clusters
✍ Scribed by G.L. Xue
- Book ID
- 110261296
- Publisher
- Springer US
- Year
- 1997
- Tongue
- English
- Weight
- 231 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0925-5001
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A new conformational search method, molecular Ž . dynamics᎐minimization MDM , is proposed, which combines a molecular dynamics sampling strategy with energy minimizations in the search for lowenergy molecular structures. This new method is applied to the search for low energy configurations of clust