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An Electronic Approach to Materials Design
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Journal of Materials Science & Technology 2003年 第z1期19卷 73-76页
作者: Masahiko MORINAGA Yoshinori MURATA Hiroshi YUKAWA Department of Materials Science and Engineering Graduate School of Engineering Nagoya UniversityNagoya 464-8603 Japan Department of Materials Science and Engineering Graduate School of Engineering Nagoya UniversityNagoya 464-8603 Japan Department of Materials Science and Engineering Graduate School of Engineering Nagoya UniversityNagoya 464-8603 Japan
A molecular orbital approach to materials design has recently made great progress. This approach is based onthe electronic structure calculations by the DV-Xα cluster method. In this paper recent progress in this app...
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