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The Convergence of Newton–Raphson Iteration with Kepler's Equation

✍ Scribed by E. D. Charles; J. B. Tatum

Book ID
110260053
Publisher
Springer Netherlands
Year
1997
Tongue
English
Weight
89 KB
Volume
69
Category
Article
ISSN
1572-9478

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Acceleration of convergence in iterative
Acceleration of convergence in iterative methods when solving Newton-Raphson equations in second-order SCF calculations for energy-localized orbitals
✍ Tatsuji Sano; Yasumasa J. I'Haya 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 451 KB

Some iterative methods for solving large-scale Newton-Raphson equations in level-shifted second-order SCF calculations are tested using numerical examples for energy-localized orbitals minimizing the negative of the self-repulsion energy. In these algorithms convergence is remarkably slow by nature.