First-principles simulation: Ideas, illustrations and the CASTEP code.

SEGALL M D; LINDAN P J D; PROBERT M J; PICKARD C J; HASNIP P J; CLARK S J; PAYNE M C

Art

J-GLOBAL ID：200902190268265037 Reference number：02A0348383

First-principles simulation: Ideas, illustrations and the CASTEP code.

第一原理シミュレーションアイデア,例及びCASTEPコード

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Material：
Volume： 14 Issue： 11 Page： 2717-2744 Publication year： Mar. 25, 2002
JST Material Number： B0914B ISSN： 0953-8984 CODEN： JCOMEL Document type： Article
Article type：文献レビュー Country of issue： United Kingdom (GBR) Language： ENGLISH (EN)

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Electronic structure in general , Numerical computation

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