Artificial neural networks applied to theoretical chemistry.

被引：0

作者：

de Almeida, MB ^{[1
]}

Belchior, JC ^{[1
]}

Braga, JP ^{[1
]}

Braga, AP ^{[1
]}

机构：

[1] Univ Fed Minas Gerais, Dept Quim, ICEx, BR-31270970 Belo Horizonte, MG, Brazil

来源：

VTH BRAZILIAN SYMPOSIUM ON NEURAL NETWORKS, PROCEEDINGS | 1998年

关键词：

D O I：

10.1109/SBRN.1998.731036

中图分类号：

TP18 [人工智能理论];

学科分类号：

081104 ; 0812 ; 0835 ; 1405 ;

摘要：

Artificial Neural Networks are used to invert the potential energy function for diatomic molecules. The latter was based an radial basis function technique. Fifteen diatomic systems were used and leave-three-out for testing the learning procedure. The relative average error of the inverted potential compared against the exact one is about 5% which is considered to be satisfactory.

引用

页码：232 / 234

页数：3

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