The importance of step control in optimization methods
Summary: The restricted step algorithm is described and applied to structure minimization. Robust solutions for the associated root-finding problem are derived. Structure minimizations employing the rational function optimization and the restricted step algorithm in the framework of the quasi-Newton...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000733131/Details |
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| Matična publikacija: |
Croatica chemica acta 82 (2009), 1 ; str. 283-290 |
| Glavni autor: | Del Campo, Jorge M. (-) |
| Ostali autori: | Koster, Andreas M. (-) |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
Croatica Chemica Acta |
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| 008 | 100413s2009 ci ||| ||eng | ||
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| 035 | |a (HR-ZaNSK)000733131 | ||
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| 041 | 0 | |a eng |b hrv | |
| 042 | |a croatica | ||
| 080 | |a 54 |2 MRF 1998. | ||
| 100 | 1 | |a Del Campo, Jorge M. | |
| 245 | 1 | 4 | |a The importance of step control in optimization methods / |c Jorge M. del Campo and Andreas M. Köster. |
| 300 | |b Ilustr. | ||
| 504 | |a Bibliografija: 40 jed | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: The restricted step algorithm is described and applied to structure minimization. Robust solutions for the associated root-finding problem are derived. Structure minimizations employing the rational function optimization and the restricted step algorithm in the framework of the quasi-Newton method are compared. With approximated start Hessians both methods show a very similar performance. However, if the start Hessian matrix is calculated the restricted step algorithm is more reliable than the rational function optimization for the studied structure minimizations | |
| 653 | 0 | |a Optimizacija strukturnih parametara |a Algoritam s ograničenim korakom |a Kvazi-Newtonova metoda |a Hessova matrica | |
| 700 | 1 | |a Koster, Andreas M. | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 82 (2009), 1 ; str. 283-290 |w nsk.(HR-ZaNSK)000001621 | |
| 981 | |b B01/09 |p CRO | ||
| 998 | |a rado100413 |c vol2o130424 | ||
| 856 | 4 | 2 | |u http://hrcak.srce.hr/cca |y Croatica Chemica Acta |