MIXED-BASIS SCHEME FOR RAPID COMPUTATION OF MOLECULAR ELECTRONIC-ENERGY IN SCF-LCAO-(STO)-MO FORMALISM, AND ITS APPLICATION TO LITHIUM SUPEROXIDE MOLECULE

被引：12

作者：

BILLINGSLEY, FP

TRINDLE, C

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1972年 / 76卷 / 21期

关键词：

D O I：

10.1021/j100665a012

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：2995 / +

页数：1

共 26 条

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[2]

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[7] USE OF MIXED BASIS METHOD FOR AB-INITIO SCF MO CALCULATIONS [J].

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DACRE, PD ;

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ELDER, M .

THEORETICA CHIMICA ACTA, 1971, 22 (02) :167-+

[8] APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES .2. [J].

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[9]

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[10]

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