A more efficient version of the weights and NJSYM packages

Title of program: WEIGHTS A MORE EFFICIENT VERSION Catalogue Id: ACQL_v3_0 [AAOM] Nature of problem In configuration interaction calculations, one wishes to evaluate the matrix of the Hamiltonian operator with respect to a basis set of configuration wave functions. The more difficult part of this procedure is to determine the two-electron interaction matrix elements. These matrix elements may be written as a weighted sum of radial Slater integrals. This program calculates the coefficients of these integrals. Versions of this program held in the CPC repository in Mendeley Data ACQL_v1_0; WEIGHTS; 10.1016/0010-4655(70)90037-8 ACQL_v2_0; WEIGHTS NEW VERSION; 10.1016/0010-4655(71)90051-8 ACQL_v3_0; WEIGHTS A MORE EFFICIENT VERSION; 10.1016/0010-4655(82)90054-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

程序名称：WEIGHTS 更高效版本
目录编号：ACQL_v3_0 [AAOM]
问题描述
在组态相互作用（configuration interaction, CI）计算中，需基于组态波函数基组计算哈密顿算符（Hamiltonian operator）的矩阵。该流程的核心难点在于双电子相互作用矩阵元的求解：此类矩阵元可表示为径向斯莱特积分（radial Slater integrals）的加权和。本程序用于计算上述积分的加权系数。
Mendeley Data平台CPC程序库中收录的本程序版本如下：
ACQL_v1_0；WEIGHTS；DOI: 10.1016/0010-4655(70)90037-8
ACQL_v2_0；WEIGHTS NEW VERSION；DOI: 10.1016/0010-4655(71)90051-8
ACQL_v3_0；WEIGHTS A MORE EFFICIENT VERSION；DOI: 10.1016/0010-4655(82)90054-6
本程序源自贝尔法斯特女王大学维护的CPC程序库（1969-2019）