| 查看: 1082 | 回复: 5 | ||
| 【奖励】 本帖被评价4次，作者gaofree增加金币 3.5 个 | ||
[资源]
【分享】Springer, 2007 Quantum Chemistry of Solids[无重复]
|
||
|
搜索发现站内连接都失效了。 Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals (Springer Series in Solid-State Sciences) By Robert A. Evarestov * Publisher: Springer * Number Of Pages: 560 * Publication Date: 2007-05-07
Book Description: Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based (Hartree-Fock), density-based (DFT) and hybrid hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid-state physics and real-space quantum chemistry methods in the framework of cyclic model of an infinite crystal. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. The discussion of the results of some supercell calculations of point defects in non-metallic solids and of the crystalline surfaces electronic structure illustrates the efficiency of LCAO method for solids. http://ifile.it/y8dlcew/72494.rar RAR archive password: twilightzone http://ifile.it/b5r71d6/quantum_chemistry_of_solids_3540487468.rar http://d.namipan.com/d/0005e8bad3ef09122947034ee3825e338b70f039a5a05300 [ Last edited by gaofree on 2010-5-15 at 19:56 ] |
回复此楼» 猜你喜欢
我面上完蛋了
已经有5人回复
-
今天放榜没戏了吧
已经有9人回复
-
让我中一个面上吧！
已经有12人回复
-
基金啊基金
已经有4人回复
-
放榜前的不淡定
已经有13人回复
-
时间戳今天，20号变了
已经有4人回复
-
只有每年这种时候来逛逛小木虫
已经有24人回复
-
估计是周四
已经有3人回复
-
科研孤儿太难了
已经有15人回复
-
言之凿凿，明天官网会通知放榜？
已经有17人回复
» 本主题相关价值贴推荐，对您同样有帮助:
2楼2010-05-15 20:09:55
3楼2010-05-15 20:33:35
5楼2010-07-03 16:03:55
简单回复
朙天儿4楼
2010-07-03 15:44
回复
2010-07-04 08:07
回复
谢谢分享
40