Différences entre les versions de « VB workshop tutorials program »

Dernière version du 13 juillet 2012 à 15:50

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-=== Instructors ===
+#REDIRECT[[VB_tutorial]]
-* Benoît Braida
-* Zhenhua Chen
-* Xun Chen
-* David Danovich
-* '''Stéphane Humbel (coordinator)'''
-* Mathieu Linares
-* Yirong Mo
-* Avital Shurki
-* Peifeng Su
-* Wei Wu
-* Fuming Ying
-=== Program of the tutorials ===
-==== Tutorial n°1 (Monday p.m) : exercices, and HuLiS software ====
- Stéphane et Philippe : à vous le micro
-* CH2=C(CH2)2 radical : what is its ground state ? Excitation energy, gap ?
-==== Tutorial n°2-4 : BLW and XMVB programs ====
-* H2, HF, F2 : VBSCF, different correlation wave functions (BOVB, VBCI,...), computation of weights and "charge-shift" character
-* Computation of H3 barrier (BOVB and VBCI)
-* CH2=C(CH2)2 radical : check semi-quantitative results from tutorial 1
-* Selected 1,3 dipoles (see with Philippe) : computation of 3-structure D-BOVB wave function, and of the biradical gap, correlation gap vs. barriers
-* One or two exercices on a VB diagram (which one(s) ?)