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=== Instructors ===
+
#REDIRECT[[VB_tutorial]]
* Benoît Braida
 
* Xun Chen
 
* David Danovich
 
* '''Stéphane Humbel (coordinator)'''
 
* Mathieu Linares
 
* Yirong Mo
 
* Avital Shurki
 
* Jinshuai Song
 
* Peifeng Su
 
* Wei Wu
 
* Fuming Ying
 
 
 
=== Usefull programs ===
 
[[http://www.scl.ameslab.gov/MacMolPlt |  MacMolPlt]] will be installed on the cluster. It shall be used to build graphically Gamess input.
 
 
 
[[xmpg]] can help to convert Gamess output to XMVB files (.bfi, .xmi, .bro) (and XMVB file to Gamess files for orbitals) [not updated to xmvb2]
 
 
 
=== Program of the tutorials (PROPOSAL) ===
 
Here are
 
[[Sason remarks]]
 
 
 
They are accessible from your tutorials
 
 
 
==== [[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 and photochemistry ====
 
 
 
==== [[VBTutorial4|Tutorial n°4]] : BLW method & HuLiS program ====
 
 
 
==== [[VBTutorialE|Advanced Tutorial (optional)]] : Advanced exercices on VB theory and XMVB program ====
 

Dernière version du 13 juillet 2012 à 15:50

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