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A structured low-rank wavelet solver for the Ornstein-Zernike integral equation. (English) Zbl 1117.65170

Summary: We present a new structured wavelet algorithm to solve the Ornstein-Zernike integral equation for simple liquids. This algorithm is based on the discrete wavelet transform of radial distribution functions and different low-rank approximations of the obtained convolution matrices. The fundamental properties of wavelet bases such as the interpolation properties and orthogonality are employed to improve the convergence and speed of the algorithm. In order to solve the integral equation we have applied a combined scheme in which the coarse part of the solution is calculated by the use of wavelets and Newton-Raphson algorithm, while the fine part is solved by the direct iteration. Tests have indicated that the proposed procedure is more effective than the conventional method based on hybrid algorithms.

MSC:

65R20 Numerical methods for integral equations
45E10 Integral equations of the convolution type (Abel, Picard, Toeplitz and Wiener-Hopf type)
65T60 Numerical methods for wavelets

Software:

KELLEY; Matlab
Full Text: DOI

References:

[2] Hansen, J. P., McDonal, I. R.: Theory of simple liquids. Elsevier Science and Technology Books 1990.
[23] Kelley, C. T.: Iterative methods for linear and nonlinear equations. Frontiers in Applied Mathematics, vol. 16 Philadelphia: SIAM 1995. · Zbl 0832.65046
[29] Golub, G. H., van Loan, C. F.: Matrix computations. Johns Hopkins University Press 1996. · Zbl 0865.65009
[30] Matlab ®. http://www.mathworks.com .
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