| 查看: 296 | 回复: 0 | |||
| 当前主题已经存档。 | |||
xirainbow木虫 (正式写手)
|
[交流]
【原创】号外！QE年内将实现GW/TDDFT！
|
||
|
http://www.democritos.it/piperma ... -August/013730.html GW and tddft are both on their way, and they will address a different target from yambo and sax. The tddft module in QE implements a new Lanczos approach to time-dependent density-functional (perturbation) theory, particularly designed to cope with large systems (several hundreds atoms). See: JChemPhys 128, 154105 ( 2008). Our implementation of GW will be based on new algorithms to address large systems (a few hundreds atoms). see: PRB 79, 201104 (2009), and to be published. Both codes will presumably have fewer features/capabilities than generalist codes such as sax/yambo. Both modules will be made available in the next few weeks/months (Q4-2009) 看来年内QE将实现GW和TDDFT，但是其目标是使用的方法是针对上百个原子的大系统的，所以对于一般做小体系的似乎并不是个好消息；（ |
回复此楼» 猜你喜欢
求调剂
已经有3人回复
-
材料与化工调剂
已经有4人回复
-
本9一志愿2 0854低分专硕286求调剂
已经有10人回复
-
298求调剂
已经有9人回复
-
材料专业344求调剂
已经有12人回复
-
282，电气工程专业，求调剂，不挑专业
已经有6人回复
-
301求调剂
已经有3人回复
-
一志愿211，化学学硕，310分，本科重点双非，求调剂
已经有28人回复
-
材料085601调剂
已经有17人回复
-
一志愿0703化学招61最终排名62化学求调剂
已经有23人回复
