Gaussian-Expansion Methods for Molecular Integrals
Gaussian-Expansion Methods for Molecular Integrals
复制标题
分子积分的高斯展开法
DOI：
10.1143/jpsj.21.2313
复制
发表时间：
1966
影响因子：
1.7
通讯作者：
Kiyosi O
中科院分区：
文献类型：
--
作者：
Hiroshi Taketa;S. Huzinaga;Kiyosi O
描述了计算分子积分的高斯展开方法。数值算例选择斯莱特型函数上的分子积分，但只要函数能适当地用高斯型函数表示，该方法就可以应用于任何其他函数上的积分。为了便于计算机编码，对数学分析作了较为详细的描述。
The Gaussian-expansion method for the evaluation of molecular integrals is described. The molecular integrals over the Slater-type functions are chosen as numerical examples, but the method can be applied to integrals over any other functions as long as the functions can duly be expressed in terms of Gaussian-type functions. A fairly detailed description is presented of the mathematical analysis with the purpose of facilitating the computer coding.