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Reply to comment on 'Symbolic calculation of two-center overlap integrals over slater-type orbitals'

机译:对“板条型轨道上的两个中心重叠积分的符号计算”的评论答复

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摘要

The comments of Guseinov are critically analyzed. Contrary to his comments, it is pointed out that our formula for two-center overlap integrals over Slater type orbitals have been derived independently, not derived from the earlier works of Guseinov by changing the summation indices. Therefore, our algorithm is original, is not affected from possible instability problems and can be used in large scale calculations without loss of significant figures. Meanwhile, it should be stressed that his comment on the transformation of our formula into his formula proves the correctness of our algorithm and therefore can be regarded as a nice sound of science.
机译:批评性地分析了古西诺夫的评论。与他的评论相反,它指出,我们在Slater型轨道上的两中心重叠积分的公式是独立推导的,而不是通过更改总和来推导Guseinov早期著作的。因此,我们的算法是原始算法,不受可能的不稳定性问题影响,可以在不损失大量有效数字的情况下用于大规模计算。同时,应该强调的是,他对将公式转换为公式的评论证明了我们算法的正确性,因此可以被视为科学的声音。

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