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Titlebook: Hartree-Fock-Slater Method for Materials Science; The DV-X Alpha Meth Hirohiko Adachi,Takeshi Mukoyama,Jun Kawai Book 2006 Springer-Verlag

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發(fā)表于 2025-3-21 19:46:51 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書目名稱Hartree-Fock-Slater Method for Materials Science
副標(biāo)題The DV-X Alpha Meth
編輯Hirohiko Adachi,Takeshi Mukoyama,Jun Kawai
視頻videohttp://file.papertrans.cn/425/424402/424402.mp4
概述Basic book on Hartree-Fock-Slater Method.Most comprehensive presentation of its applications in Materials Science
叢書名稱Springer Series in Materials Science
圖書封面Titlebook: Hartree-Fock-Slater Method for Materials Science; The DV-X Alpha  Meth Hirohiko Adachi,Takeshi Mukoyama,Jun Kawai Book 2006 Springer-Verlag
描述.Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method..
出版日期Book 2006
關(guān)鍵詞Approximation; Density funcational; Hartree-Fock-Slater method; Inner-shell spectroscopy; Molecular orbi
版次1
doihttps://doi.org/10.1007/3-540-31297-8
isbn_softcover978-3-642-06384-8
isbn_ebook978-3-540-31297-0Series ISSN 0933-033X Series E-ISSN 2196-2812
issn_series 0933-033X
copyrightSpringer-Verlag Berlin Heidelberg 2006
The information of publication is updating

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