| 书目名称 | Hartree-Fock-Slater Method for Materials Science |
| 副标题 | The DV-X Alpha Meth |
| 编辑 | Hirohiko Adachi,Takeshi Mukoyama,Jun Kawai |
| 视频video | |
| 概述 | Basic book on Hartree-Fock-Slater Method.Most comprehensive presentation of its applications in Materials Science |
| 丛书名称 | Springer Series in Materials Science |
| 图书封面 |  |
| 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 |
| 关键词 | Approximation; Density funcational; Hartree-Fock-Slater method; Inner-shell spectroscopy; Molecular orbi |
| 版次 | 1 |
| doi | https://doi.org/10.1007/3-540-31297-8 |
| isbn_softcover | 978-3-642-06384-8 |
| isbn_ebook | 978-3-540-31297-0Series ISSN 0933-033X Series E-ISSN 2196-2812 |
| issn_series | 0933-033X |
| copyright | Springer-Verlag Berlin Heidelberg 2006 |
发表于 2025-3-21 19:46:51
