Comment on Dunning's correlation-consistent basis sets - Comment

被引：376
|
作者：
Davidson, ER
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1996年 / 260卷 / 3-4期
关键词：
D O I：
10.1016/0009-2614(96)00917-7
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页码：514 / 518
页数：5
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