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https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/25237
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题名: | Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach |
作者: | Pickard, Chris J.;Winkler, Bjorn;Chen, Roger K.;Payne, M. C.;Lee, M. H.;Lin, J. S.;White, J. A.;Milman, V.;Vanderbilt, David |
贡献者: | 淡江大學化學學系 |
日期: | 2000-12 |
上传时间: | 2013-07-09 15:27:36 (UTC+8) |
出版者: | College Park: American Physical Society |
摘要: | We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, α-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu. |
關聯: | Physical Review Letters 85(24), pp.5122-5125 |
DOI: | 10.1103/PhysRevLett.85.5122 |
显示于类别: | [化學學系暨研究所] 期刊論文
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