OPTIMIZED GAUSSIAN-BASIS SET FOR 2ND ROW TRANSITION-METALS

被引：13

作者：

FRIEDLANDER, ME ^{[1
]}

HOWELL, JM ^{[1
]}

SNYDER, G ^{[1
]}

机构：

[1] QUEENSBOROUGH COMMUNITY COLL,BAYSIDE,NY 11364

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 04期

关键词：

D O I：

10.1063/1.444045

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：

引用

页码：1921 / 1929

页数：9

共 24 条

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[7] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
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[8] Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms
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[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (04) : 423 - 427
[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[10] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) : 4377 - 4384

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