Homeier, Herbert H. H. and Rast, Sebastian and Krienke, Hartmut (1995) Iterative solution of the Ornstein-Zernike equation with various closures using vector extrapolation. COMPUTER PHYSICS COMMUNICATIONS, 92 (2-3). pp. 188-202. ISSN 0010-4655, 1879-2944
Full text not available from this repository.Abstract
The solution of the Ornstein-Zemike equation with various closure approximations is studied. This problem is rewritten as an integral equation that can be solved iteratively on a grid. The convergence of the fixed point iterations is relatively slow. We consider transformations of the sequence of solution vectors using non-linear sequence transformations, so-called vector extrapolation processes. An example is the vector J transformation. The transformed vector sequences rum out to converge considerably faster than the original sequences.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SEQUENCE TRANSFORMATIONS; CONVERGENCE; SUMMATION; SERIES; MANY-PARTICLE THEORY; SPATIAL DISTRIBUTION FUNCTIONS; INTEGRAL EQUATION APPROXIMATION; DIRECT ITERATION; CONVERGENCE ACCELERATION; FIXED POINTS EQUATIONS; J TRANSFORMATION |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 15 Nov 2023 11:04 |
| Last Modified: | 15 Nov 2023 11:04 |
| URI: | https://pred.uni-regensburg.de/id/eprint/52175 |
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