HAM-4, AN IMPROVED SEMI-EMPIRICAL MO METHOD, BASED UPON SLATERS SHIELDING CONCEPT

被引：43

作者：

ASBRINK, L

FRIDH, C

LINDHOLM, E

DEBRUIJN, S

CHONG, DP

机构：

[1] UNIV AMSTERDAM,INST THEORET CHEM,NL-1018 TV AMSTERDAM,NETHERLANDS

[2] UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA

来源：

PHYSICA SCRIPTA | 1980年 / 22卷 / 05期

关键词：

D O I：

10.1088/0031-8949/22/5/009

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：475 / 482

页数：8

共 36 条

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[4] VALENCE EXCITATION OF LINEAR-MOLECULES .1. EXCITATION AND UV SPECTRA OF N2, CO, ACETYLENE AND HCN [J].

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CHEMICAL PHYSICS LETTERS, 1979, 66 (02) :411-416

[6] HAM-3, A SEMIEMPIRICAL MO THEORY .3. UNOCCUPIED ORBITALS [J].

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[7]

ASBRINK L, 1980, QCPE393

[8]

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[10] MODIFICATION OF VIRTUAL ORBITALS [J].

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