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

✍ Scribed by Ernest R. Davidson

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
244 KB
Volume
260
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

Hashimoto etal. [1] recently pointed out that

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