Density functional calculations for polymers and clusters - progress and limitations

R.O. Jones, Pietro Ballone

Research output: Contribution to journalArticle

3 Citations (Scopus)

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. (C) 2001 Elsevier Science B.V. All rights reserved.
Original languageEnglish
Pages (from-to)1-6
Number of pages6
JournalComputational Materials Science
Volume22
Issue number1-2
Publication statusPublished - 2001

ASJC Scopus subject areas

  • Materials Science(all)

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