Title of article
Density functional calculations for polymers and clusters – progress and limitations
Author/Authors
Jones، نويسنده , , R.O and Ballone، نويسنده , , P، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
6
From page
1
To page
6
Abstract
The applicability of density functional (DF) methods has progressed greatly since the first workshop of this series ten years ago. Applications that show both the successes and the limitations can be found in the fields of: (a) the structures of the isomers of atomic clusters, and (b) the structure of organic molecules and polymers, and their reactions with additional molecules. We shall review some of the results and the lessons to be learned from them.
Journal title
Computational Materials Science
Serial Year
2001
Journal title
Computational Materials Science
Record number
1679084
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