✦ LIBER ✦
Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method
✍ Scribed by Niesse, J. A.; Mayne, Howard R.
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 229 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
A modified genetic algorithm approach has been applied to Ž . atomic Ar clusters and molecular water clusters up to H O . Several genetic 2 13
operators are discussed which are suitable for real-valued space-fixed atomic coordinates and Euler angles. The performance of these operators has been systematically investigated. For atomic systems, it is found that a mix of operators containing a coordinate-averaging operator is optimal. For angular coordinates, the situation is less clear. It appears that inversion and two-point crossover operators are the best choice.