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.

引用

页码：514 / 518

页数：5

共 6 条

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DUNNING, TH
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[2] Frisch M.J., 1995, GAUSSIAN 94
[3] COMMENT ON DUNNINGS CORRELATION-CONSISTENT BASIS-SETS
HASHIMOTO, T
HIRAO, K
TATEWAKI, H
[J]. CHEMICAL PHYSICS LETTERS, 1995, 243 (1-2) : 190 - 192
[4] ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS
KENDALL, RA
DUNNING, TH
HARRISON, RJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) : 6796 - 6806
[5] RAFFENET.RC, 1973, J CHEM PHYS, V58, P4452, DOI 10.1063/1.1679007
[6] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .3. THE ATOMS ALUMINUM THROUGH ARGON
WOON, DE
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02) : 1358 - 1371

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