A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS .5. FROM NA THROUGH CA

被引：145

作者：

SAKAI, Y ^{[1
]}

TATEWAKI, H ^{[1
]}

HUZINAGA, S ^{[1
]}

机构：

[1] UNIV ALBERTA,DEPT CHEM,EDMONTON T6G 2M7,ALBERTA,CANADA

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1981年 / 2卷 / 01期

关键词：

D O I：

10.1002/jcc.540020117

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：100 / 107

页数：8

相关论文

共 5 条

[1]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .14. EXTENDED GAUSSIAN-TYPE BASES FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES - INCLUSION OF SECOND ROW ELEMENTS [J].

HEHRE, WJ ;

LATHAN, WA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5255-&

[3] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

STEWART, RF ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+

[4] SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SET .1. TRANSITION-METAL ATOMS FROM SC TO ZN [J].

TATEWAKI, H ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) :4339-4348

[5] A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS .3. 2ND-ROW ATOMS FROM LI THROUGH NE [J].

TATEWAKI, H ;

HUZINAGA, S .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (03) :205-228