✦ LIBER ✦
A random walk to local minima and saddle points on a potential energy surface. A strategy based on simulated annealing
✍ Scribed by P. Chaudhury; P. Dutta; P. Bandyopadhyay; P. Sarkar; S.P. Bhattacharyya
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 534 KB
- Volume
- 250
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
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 Mi~ller-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.