Coulomb coefficients for complex ionic crystals
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Title of program: KCOUL1 Catalogue Id: ACWY_v1_0 Nature of problem The program evaluates Coulomb coefficients for complex ionic crystals using the equations given by Venkataraman and Sahni modified to take account of the work of Scheringer. These equations are a generalisation of the ones given by Kellermann. Versions of this program held in the CPC repository in Mendeley Data ACWY_v1_0; KCOUL1; 10.1016/0010-4655(76)90067-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序名称：KCOUL1 目录编号：ACWY_v1_0 问题本质 本程序基于Venkataraman与Sahni提出的方程，并结合Scheringer的研究成果对其进行修正，用于计算复杂离子晶体的库仑系数。该类方程是Kellermann所提出方程的推广形式。 本程序在Mendeley Data的CPC知识库中的存档版本为：ACWY_v1_0; KCOUL1; 10.1016/0010-4655(76)90067-9 本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）
