Gradient Corrected Density Functional Calculation of the Structure Properties and Elastic Constants of 3d Transition Metals
碩士 === 國立臺灣大學 === 物理學研究所 === 87 === Density functional theory (DEF) with local density approximation (LDA) iswidely used for first principles calculation of the ground state properties of crystalline solids. But the LDA computes poor results of some 3d transition metals....
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| Format: | Others |
| Language: | en_US |
| Published: |
1999
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| Online Access: | http://ndltd.ncl.edu.tw/handle/56196555196201648505 |