Saha, Rajendra ; Bhattacharyya, S. P. ; Taylor, Christopher D. ; Zhao, Yong ; Cundari, Thomas R. (2003) Direct solution of the Schrodinger equation by a parallel genetic algorithm: cases of an exactly solvable 2-D interacting oscillator and the hydrogen atom International Journal of Quantum Chemistry, 94 (5). pp. 243-250. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.106...
Related URL: http://dx.doi.org/10.1002/qua.10685
Abstract
The schrodinger equation for an exactly solvable 2-D interacting oscillator problem is solved numerically by application of a parallel genetic algorithm on a fixed coordinate grid (n × n). The critical energy evaluation step for the wave function strings is parallelized. A fast Fourier transform is used for computing the kinetic energy while the potential energy is obtained by quadrature. Comparison with the exact result indicates viability of the method. As a second case, the hydrogen atom problem is solved by the same method. Parallel performance of the code is also assessed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| Keywords: | Beowulf Cluster; Genetic Algorithms; Hydrogen Atom; Parallel Computing; Soft Computing |
| ID Code: | 3119 |
| Deposited On: | 09 Oct 2010 10:18 |
| Last Modified: | 20 May 2011 07:15 |
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