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Four tutorials ("hands-on" labs) sessions are planned, where participants will learn to use the [http://ctc.xmu.edu.cn/xmvb XMVB] program, as well as the [http://homepages.wmich.edu/~ymo/index.htm BLW] and [http://www.hulis.free.fr/ HuLis] programs, and apply the methods and concepts on some chemical problems of progressive difficulty. Part of the «hands-on» sessions can as well be used by participants for questions/answers concerning the main lectures or book exercises. Rooms will also be at the disposal of participants during the «hands-on» time for free discussions. | Four tutorials ("hands-on" labs) sessions are planned, where participants will learn to use the [http://ctc.xmu.edu.cn/xmvb XMVB] program, as well as the [http://homepages.wmich.edu/~ymo/index.htm BLW] and [http://www.hulis.free.fr/ HuLis] programs, and apply the methods and concepts on some chemical problems of progressive difficulty. Part of the «hands-on» sessions can as well be used by participants for questions/answers concerning the main lectures or book exercises. Rooms will also be at the disposal of participants during the «hands-on» time for free discussions. | ||
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| + | ==== The XMVB program ==== | ||
| + | XMVB is an ''ab initio'' non-orthogonal Valence Bond program. It is available [mailto:Wei Wu <weiwu@xmu.edu.cn> upon request]. Its manual could be [http://wiki.lct.jussieu.fr/workshop/images/7/71/XMVB_Manual_V20.pdf downloaded here], and a detailed presentation of input/output structure [http://wiki.lct.jussieu.fr/workshop/index.php/Content_of_the_VB_lectures here]. | ||
Version du 12 juillet 2012 à 05:51
Four tutorials ("hands-on" labs) sessions are planned, where participants will learn to use the XMVB program, as well as the BLW and HuLis programs, and apply the methods and concepts on some chemical problems of progressive difficulty. Part of the «hands-on» sessions can as well be used by participants for questions/answers concerning the main lectures or book exercises. Rooms will also be at the disposal of participants during the «hands-on» time for free discussions.
The XMVB program
XMVB is an ab initio non-orthogonal Valence Bond program. It is available Wu <weiwu@xmu.edu.cn> upon request. Its manual could be downloaded here, and a detailed presentation of input/output structure here.