Title of article
Description of the potential energy surface of the water dimer with an artificial neural network
Author/Authors
Tai No، نويسنده , , Kyoung and Ha Chang، نويسنده , , Byung and Yeon Kim، نويسنده , , Su and Shik Jhon، نويسنده , , Mu and Scheraga، نويسنده , , Harold A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
5
From page
152
To page
156
Abstract
A potential energy function for the water dimer has been developed with an artificial neural network (back propagation of error algorithm). The potential energy surface was obtained with 6s3p3d/3s3p MP2 ab initio MO calculations. The trained neural network reproduced the potential energy surface of the water dimer very well, not only in the low-energy region but also in the high-energy region.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1780984
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