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An efficient algorithm for the solution of the correlation function for soft spherical repulsions

 

作者: T.F. Sun,   J.A. Schouten,   C.A. Ten Seldam,   P.J. Kortbeek,  

 

期刊: Molecular Physics  （Taylor Available online 1990）
卷期: Volume 69, issue 4  

页码: 607-614

 

ISSN:0026-8976

 

年代: 1990

 

DOI:10.1080/00268979000100441

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

A numerical iteration algorithm is presented for the computation of pair correlation functions of soft sphere repulsions in the Baxter reformulation of the Percus-Yevick integral equation. The method consists of the determination of accurate initial values and the derivation of a sum recursive rule, which reduces the computational time by a factor of about 40 compared to that of the previous methods.

 

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