Chaudhury, P. ; Dutta, P. ; Bandyopadhyay, P. ; Sarkar, P. ; Bhattacharyya, S. P. (1996) A random walk to local minima and saddle points on a potential energy surface. A strategy based on simulated annealing Chemical Physics Letters, 250 (2). pp. 238-246. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...
Related URL: http://dx.doi.org/10.1016/0009-2614(95)01426-8
Abstract
We demonstrate how the Metropolis simulated annealing method, a global stochastic minimizer, can also be used as an all-purpose extremizer capable of locating all the local minima and saddle points on a given surface, in addition to the global minimum. The demonstration is done with reference to the well studied Muller-Brown potential and a one-dimensional spin glass with random nearest-neighbour interaction. The relevance of the present strategy in the construction of reaction paths is discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 2945 |
| Deposited On: | 09 Oct 2010 07:22 |
| Last Modified: | 20 May 2011 09:39 |
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