A COMPARISON OF THE GEOMETRICAL SEQUENCE FORMULA AND THE WELL-TEMPERED FORMULAS FOR GENERATING GTO BASIS ORBITAL EXPONENTS

被引：200

作者：

HUZINAGA, S ^{[1
]}

MIGUEL, B ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID,FAC CIENCIAS,DEPT QUIM FIS APLICADA,E-28049 MADRID,SPAIN

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 175卷 / 04期

关键词：

D O I：

10.1016/0009-2614(90)80112-Q

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：

The geometrical sequence formula to generate orbital exponents of GTO basis sets is compared with other two generating formulas termed as well-tempered, for atoms from He to Cd.

引用

页码：289 / 291

页数：3

共 7 条

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BARDO, RD ;

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[2]

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HUZINAGA, S ;

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TATEWAKI, H .

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[5]

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[6]

Raffenetti R.C, 1973, EVEN TEMPERED REPRES

[7]

VANDUIJNEVELDT FB, 1971, GAUSSIAN BASIS SETS

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