An efficient Gauss-Newton-like method for the numerical solution of the Ornstein-Zernike integral equation for a class of fluid models (Q1339511): Difference between revisions
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Latest revision as of 19:18, 19 March 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | An efficient Gauss-Newton-like method for the numerical solution of the Ornstein-Zernike integral equation for a class of fluid models |
scientific article |
Statements
An efficient Gauss-Newton-like method for the numerical solution of the Ornstein-Zernike integral equation for a class of fluid models (English)
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7 December 1994
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A numerical algorithm for solving the Ornstein-Zernike integral equation of statistical mechanics is described for the class of fluids composed of molecules with axially symmetric interactions. The algorithm achieves a high degree of computational efficiency by combining iterative linearization of the most complex portion of the kernel with a combination of Newton-Raphson and Picard iteration methods for the resulting approximate equation. An example calculation is given illustrating the use of the algorithm for the hard prolate ellipsoid fluid.
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iterative linearization
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Newton-Raphson and Picard iteration methods
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hard prolate ellipsoid fluid
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