All-electron mixed-basis calculation with conjugated gradient method to optimize structure of copper clusters

Y. C. Bae, Kaoru Ohno, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The all-electron mixed-basis calculation to optimize the structure of copper clusters is implemented by conjugated gradient method. The method greatly improved the convergence of the electronic states of the cluster compared to the steepest descent method.

Original languageEnglish
Pages (from-to)1205-1208
Number of pages4
JournalMaterials Transactions, JIM
Volume40
Issue number11
DOIs
Publication statusPublished - 1999

ASJC Scopus subject areas

  • Engineering(all)

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