| 書目名稱 | Planewaves, Pseudopotentials, and the LAPW Method | | 編輯 | David J. Singh,Lars Nordstr?m | | 視頻video | http://file.papertrans.cn/749/748315/748315.mp4 | | 概述 | Written at a level accessible to graduate students and researchers familiar with the fundamentals of solid state physics.Only book available on this popular methodology.Includes supplementary material | | 圖書封面 |  | | 描述 | The first edition of this book, published in 1994, provided an exposition of the LAPW method and its relationship with other electronic structure approaches, especially Car-Parrinello based planewave methods. Since publication of that book, the LAPW method has been transformed from a specialized method used mostly by researchers running their own home made versions, to a popular, widely used method, where most users run standard codes to investigate ma- terials of interest to them. This is an exciting development because it opens the door to widespread use of first principles calculations in diverse areas of condensed matter physics and materials science. The positive impact of this on scientific progress is already becoming clear. Also as a result of this trend, the great majority of researchers using the LAPW method are no longer directly in- volved in the development of LAPW codes. Nonetheless, it remains important to understand how the LAPW method works, what its limitations are, and how its parameters determine the quahty and efficiency of calculations. The scientist with an understanding of how the method works has a clear advantage. This edition is an updated and expanded tr | | 出版日期 | Book 2006Latest edition | | 關(guān)鍵詞 | condensed matter; magnetism; materials; metal; simulation | | 版次 | 2 | | doi | https://doi.org/10.1007/978-0-387-29684-5 | | isbn_softcover | 978-1-4419-3954-8 | | isbn_ebook | 978-0-387-29684-5 | | copyright | Springer-Verlag US 2006 |
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