AN IMPROVED SCF ITERATION SCHEME

被引：16

作者：

BADZIAG, P ^{[1
]}

SOLMS, F ^{[1
]}

机构：

[1] UNIV S AFRICA,DEPT PHYS,POB 392,PRETORIA 0001,SOUTH AFRICA

来源：

COMPUTERS & CHEMISTRY | 1988年 / 12卷 / 03期

关键词：

D O I：

10.1016/0097-8485(88)85022-8

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：233 / 236

页数：4

共 13 条

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[8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

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[9] SIMPLIFIED EXTRAPOLATION PROCEDURE FOR SCF CALCULATIONS [J].

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[10]

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