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Application of a hybrid quantum mechanics and empirical moleculardynamics multiscale method to carbon nanotubes |
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| Authors: | X Zhang and C-Y Wang |
| Institution: | (1) Department of Physics, Tsinghua University, Beijing, 100084, P.R. China;(2) The International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang, 110016, P.R. China |
| Abstract: | |
| Keywords: | PACS" target="_blank">PACS 71 15 Mb Density functional theory local density approximation gradient and other corrections 61 46 -w Structure of nanoscale materials 31 15 xv Molecular dynamics and other numerical methods |
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