Différences entre les versions de « VB tutorial »
| (23 versions intermédiaires par le même utilisateur non affichées) | |||
| Ligne 9 : | Ligne 9 : | ||
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. | ||
| − | + | = The XMVB program = | |
| − | XMVB is an ''ab initio'' non-orthogonal Valence Bond program. It is available [mailto: | + | XMVB is an ''ab initio'' non-orthogonal Valence Bond program. It is available [mailto: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/images/8/85/Practical_guide_for_VB_calculations.pdf here]. |
| + | |||
| + | =Tutorials= | ||
| + | |||
| + | You can [[Media:Exercises-vbw2012.tgz | '''dowload all tutorial exercises from this link]]''' | ||
| + | |||
| + | ==== [[VBTutorial1|Tutorial n°1]] : Basics of VB theory and XMVB program ==== | ||
| + | |||
| + | ==== [[VBTutorial2|Tutorial n°2]] : VB applications on PI systems ==== | ||
| + | |||
| + | ==== [[VBTutorial3|Tutorial n°3]] : State correlation diagrams ==== | ||
| + | |||
| + | ==== [[VBTutorial4|Tutorial n°4]] : BLW method & HuLiS program ==== | ||
| + | |||
| + | = The Valence Bond mailing list = | ||
| + | |||
| + | If you want to : | ||
| + | * send information (conference, publication, ...) in connexion with Valence Bond ; | ||
| + | * discuss a topic related to Valence Bond theory ; | ||
| + | * ask a question concerning the XMVB program ; | ||
| + | |||
| + | ...you may subscribe to the Valence Bond mailing list. | ||
| + | |||
| + | '''To subscribe:''' send an email (no topic) to [mailto:petidomo@lct.jussieu.fr '''this address'''] with in the body of your email only the two following words : "subscribe vblist". | ||
| + | |||
| + | Then, you'll be able to send messages to (and receive messages) from this address : '''[mailto:vblist@lct.jussieu.fr vblist@lct.jussieu.fr]''' | ||
| + | |||
| + | Archives may be found at the [http://www.lct.jussieu.fr/pagesequipe/VBLIST following link]. | ||
| + | |||
| + | =Literature= | ||
| + | |||
| + | |||
| + | <big>'''• [[Basic literature on VB theory|Basic literature on VB theory]]'''</big> | ||
| + | |||
| + | |||
| + | <big>'''• Slides of VB lectures given during the workshop can also be [[Content_of_the_VB_lectures|downloaded from here]]''' </big> | ||
Dernière version du 29 octobre 2013 à 13:44
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 upon request. Its manual could be downloaded here, and a detailed presentation of input/output structure here.
Tutorials
You can dowload all tutorial exercises from this link
Tutorial n°1 : Basics of VB theory and XMVB program
Tutorial n°2 : VB applications on PI systems
Tutorial n°3 : State correlation diagrams
Tutorial n°4 : BLW method & HuLiS program
The Valence Bond mailing list
If you want to :
- send information (conference, publication, ...) in connexion with Valence Bond ;
- discuss a topic related to Valence Bond theory ;
- ask a question concerning the XMVB program ;
...you may subscribe to the Valence Bond mailing list.
To subscribe: send an email (no topic) to this address with in the body of your email only the two following words : "subscribe vblist".
Then, you'll be able to send messages to (and receive messages) from this address : vblist@lct.jussieu.fr
Archives may be found at the following link.
Literature
• Basic literature on VB theory
• Slides of VB lectures given during the workshop can also be downloaded from here