Comment on Dunning's correlation-consistent basis sets - Comment
Comment on Dunning's correlation-consistent basis sets - Comment
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DOI：
10.1016/0009-2614(96)00917-7
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发表时间：
1996-09-27
影响因子：
2.8
通讯作者：
Davidson, ER
中科院分区：
文献类型：
--
作者：
Davidson, ER
通过使用邓宁的收缩基集的一般线性变换，收缩长度可以减少甚至超过桥本等人的评论中指出的。与高斯94，这导致在相当大的节省计算机时间。如果人们愿意忽略小系数，甚至可能节省更多。
By using a general linear transformation of Dunning's contracted basis set, the contraction length can be reduced even more than noted in the Comment by Hashimoto et al. With GAUSSIAN 94, this results in a considerable savings in computer time. If one is willing to neglect small coefficients, even greater savings are possible.