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 language | English |
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Pages (from-to) | 1205-1208 |
Number of pages | 4 |
Journal | Materials Transactions, JIM |
Volume | 40 |
Issue number | 11 |
DOIs | |
Publication status | Published - 1999 |
ASJC Scopus subject areas
- Engineering(all)