期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 22, 期 1-2, 页码 1-6出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0927-0256(01)00155-0
关键词
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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. (C) 2001 Elsevier Science B.V. All rights reserved.
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