COMPUTERIZED PATTERN RECOGNITION APPLIED TO CHEMICAL BOND RESEARCH——MODEL AND METHODS OF COMPUTATION

被引：0

作者：

陈念贻

谢雷鸣

施天生

江乃雄

李庆芝

机构：

[1] Shanghai Institute of Metallurgy

[2] Academia Sinica Shanghai Institute of Computational Technology

来源：

Science China Mathematics | 1981年 / 11期

关键词：

MODEL AND METHODS OF COMPUTATION; MBPA; YIG; STO;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

A multi-dimensional space, spanned by a set of parameters extracted from psuedo-poten-tials, Slater’s atomic orbitals, etc., is applied to investigating various chemical-bond-relatingproperties of inorganic compounds by computerized pattern recognition technique. The inves-tigations of the crystal types of intermetallic compounds and the thermodynamic behaviors ofoxide systems are shown as examples. Based on the empirical rules found, computerizedpredictions of some unknowns have come true, some of which have been confirmed by theexperiments.

引用

页码：1528 / 1535

页数：8