Dutta, P. ; Bhattacharyya, S. P. (1992) The MC SCF problem and simulated annealing strategy of global minimization Chemical Physics Letters, 199 (1-2). pp. 169-175. 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(92)80065-J
Abstract
It is demonstrated that the method of simulated annealing can be successfully used for constructing an algorithm for solving the self-consistent field or the more general multi-configuration self-consistent field problems. It is shown that the simulated annealing based calculations do not encounter any difficulty even when a pathological divergence cripples a first-order MC SCF method. Applicability of the simulated annealing based strategy in solving general nonlinear matrix equations even in the presence of strong coupling is demonstrated in a model problem.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 2950 |
| Deposited On: | 09 Oct 2010 10:29 |
| Last Modified: | 20 May 2011 10:32 |
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