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! '''<font color="red">8:30</font>''' | ! '''<font color="red">8:30</font>''' | ||
− | | '''<font color="red"> Opening </font>''' | + | | '''[http://wiki.lct.jussieu.fr/workshop/images/4/42/VB_workshop_in_Paris_2012_opening_BB.pdf <font color="red">Opening</font>]''' |
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* [[Content_of_the_VB_lectures|Overview of ''ab initio'' Valence Bond methods]] | * [[Content_of_the_VB_lectures|Overview of ''ab initio'' Valence Bond methods]] | ||
− | ||'' | + | ||''Extension lecture :'' |
− | * [[Content_of_the_VB_lectures| | + | * Jean-Paul MALRIEU : [[Content_of_the_VB_lectures|VB reading of (post)CASSCF wave functions. The work of dynamical correlation]] |
''VB lecture VI'' - Sason S. SHAIK | ''VB lecture VI'' - Sason S. SHAIK | ||
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<center>Chairman : Stéphane HUMBEL</center> | <center>Chairman : Stéphane HUMBEL</center> | ||
− | ''Extension | + | ''VB lecture VIII'' - Yirong MO |
+ | * [[Content_of_the_VB_lectures|Block-localized wavefunction (BLW) method and its applications]] | ||
+ | ''Extension lecture :'' | ||
* Clark LANDIS : [[Content_of_the_VB_lectures|VB reading from Natural Bond Orbital (NBO) analysis]] | * Clark LANDIS : [[Content_of_the_VB_lectures|VB reading from Natural Bond Orbital (NBO) analysis]] | ||
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− | <center>'''09:00-10:45''' • Chairman : | + | <center>'''09:00-10:45''' • Chairman : Andreas SAVIN</center> |
− | '' | + | ''VB lecture V'' - David L. COOPER |
− | * | + | * [[Content_of_the_VB_lectures|Spin-Coupled VB and CASVB methods and their applications]] |
+ | ''Extension lecture :'' | ||
* [[Content_of_the_VB_lectures|Katharina BOGUSLAWSKI]] | * [[Content_of_the_VB_lectures|Katharina BOGUSLAWSKI]] | ||
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− | <center>'''9:00- | + | <center>'''9:00-11:00''' • Chairman : Andrei TCHOUGREEFF</center> |
''Participants talks :'' | ''Participants talks :'' | ||
* [[VB_short_talks_abstract_page#Jules_Tshishimbi_Muya|Jules T. MUYA]] | * [[VB_short_talks_abstract_page#Jules_Tshishimbi_Muya|Jules T. MUYA]] | ||
* [[VB_participants_talks_abstract_page#Christine_Lepetit|Christine LEPETIT]] | * [[VB_participants_talks_abstract_page#Christine_Lepetit|Christine LEPETIT]] | ||
* [[VB_short_talks_abstract_page#Josep_M._Oliva|Josep M. OLIVA]] | * [[VB_short_talks_abstract_page#Josep_M._Oliva|Josep M. OLIVA]] | ||
+ | * [[VB_participants_talks_abstract_page#Zahid_Rashid|Zahid RASHID]] | ||
+ | ''Chairman's remarks :'' | ||
+ | * Andrei TCHOUGREEFF : [[Media:Adventures of Bond1 In Wonderland.pdf|Adventures of (Valence) Bond In Wonderland]] | ||
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! '''11:00-11:30''' | ! '''11:00-11:30''' | ||
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* [[Content_of_the_VB_lectures|Valence Bond diagrams for chemical reactivity - part 2]] | * [[Content_of_the_VB_lectures|Valence Bond diagrams for chemical reactivity - part 2]] | ||
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− | <center>Chairwoman : Avital SHURKI</center> | + | <center>'''11:30-12:45''' • Chairwoman : Avital SHURKI</center> |
''Participants talks :'' | ''Participants talks :'' | ||
* [[VB_participants_talks_abstract_page#Mario_Piris|Mario PIRIS]] | * [[VB_participants_talks_abstract_page#Mario_Piris|Mario PIRIS]] | ||
* [[VB_participants_talks_abstract_page#Tom_Ziegler|Tom ZIEGLER]] | * [[VB_participants_talks_abstract_page#Tom_Ziegler|Tom ZIEGLER]] | ||
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− | <center>'''11:15-12:45''' • Chairman : | + | <center>'''11:15-12:45''' • Chairman : David L. COOPER</center> |
''Extension lecture'' : | ''Extension lecture'' : | ||
− | * | + | * Gustavo SCUSERIA : [[Content_of_the_VB_lectures|Projected HF and beyond : Is there a VB connection?]] |
''Participant talk :'' | ''Participant talk :'' | ||
* [[VB_participants_talks_abstract_page#Celestino_Angeli|Celestino ANGELI]] | * [[VB_participants_talks_abstract_page#Celestino_Angeli|Celestino ANGELI]] | ||
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− | <center>'''11: | + | <center>'''11:30-13:00''' • Chairman : Etienne DERAT</center> |
''Participants talks :'' | ''Participants talks :'' | ||
* [[VB_participants_talks_abstract_page#Avital_Shurki|Avital SHURKI]] | * [[VB_participants_talks_abstract_page#Avital_Shurki|Avital SHURKI]] | ||
* [[VB_short_talks_abstract_page#Samuel_De_Visser|Samuel DE VISSER]] | * [[VB_short_talks_abstract_page#Samuel_De_Visser|Samuel DE VISSER]] | ||
* [[VB_participants_talks_abstract_page#Lynn_Kamerlin|Lynn KAMERLIN]] | * [[VB_participants_talks_abstract_page#Lynn_Kamerlin|Lynn KAMERLIN]] | ||
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! 12:30-14:30 | ! 12:30-14:30 | ||
− | | '''[[Practical information for the VB workshop#Lunches_and_diners|<font color="green">Welcome buffet lunch</font>]]''' || [http://doodle.com/8aiqahbs3yi9uhdm '''<font color="green"> | + | | '''[[Practical information for the VB workshop#Lunches_and_diners|<font color="green">Welcome buffet lunch</font>]]''' || [http://doodle.com/8aiqahbs3yi9uhdm '''<font color="green">Organized lunch</font>'''] || [[Practical_informations_for_the_VB_workshop#Other_lunchs_and_diners|'''<font color="green">Lunch</font>''']] || [[Practical_informations_for_the_VB_workshop#Other_lunchs_and_diners|'''<font color="green">Lunch</font>''']] || [[Practical_informations_for_the_VB_workshop#Other_lunchs_and_diners|'''<font color="green">Lunch</font>''']] |
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! 14:30-15:30 | ! 14:30-15:30 | ||
|''VB lecture IV'' - Peifeng SU | |''VB lecture IV'' - Peifeng SU | ||
* [[Content_of_the_VB_lectures|Practical guide for VB calculations]] | * [[Content_of_the_VB_lectures|Practical guide for VB calculations]] | ||
− | ''Introduction to the [[VB_tutorial|VB tutorials]]'' | + | ** ''Introduction to the [[VB_tutorial|VB tutorials]]'' |
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− | <center>Chairman : David DANOVICH</center> | + | <center>'''14:00-15:30''' • Chairman : David DANOVICH</center> |
''Participants talks :'' | ''Participants talks :'' | ||
* [[VB_participants_talks_abstract_page#Padeleimon_Karafiloglou|Padeleimon KARAFILOGLOU]] | * [[VB_participants_talks_abstract_page#Padeleimon_Karafiloglou|Padeleimon KARAFILOGLOU]] | ||
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* [[VB_participants_talks_abstract_page#Carol_Parish|Carol PARISH]] | * [[VB_participants_talks_abstract_page#Carol_Parish|Carol PARISH]] | ||
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− | '' | + | <center>'''14:45-15:30''' • Chairman : Stéphane HUMBEL</center> |
− | + | ''Participant talk :'' | |
− | + | * [[VB_participants_talks_abstract_page#Jiali_Gao|Jiali GAO]] | |
|| <font color="gray">'''Free time </font>''' | || <font color="gray">'''Free time </font>''' | ||
− | || <center | + | || |
+ | <center>'''15:00-15:30''' <br></center> | ||
+ | * Yirong MO : Presentation of the [http://wiki.lct.jussieu.fr/workshop/index.php/BLW '''BLW program'''] | ||
+ | * Yannick CARISSAN : Presentation of the [http://www.hulis.free.fr/ '''HuLiS program'''] | ||
|- | |- | ||
!'''15:30-18:30''' | !'''15:30-18:30''' | ||
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||<center> ''Free discussions and'' <br> '' [[VB_tutorial|VB tutorial]]'' </center> | ||<center> ''Free discussions and'' <br> '' [[VB_tutorial|VB tutorial]]'' </center> | ||
|| <font color="gray">'''Free time </font>''' | || <font color="gray">'''Free time </font>''' | ||
− | ||<center>''Free discussions and'' <br> '' [[VB_tutorial|VB tutorial]]'' </center | + | ||<center> ''Free discussions and'' <br> '' [[VB_tutorial|VB tutorial]]'' </center> |
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! | ! | ||
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'''[[VB participants talks abstract page|Participants talks - abstract page]]''' | '''[[VB participants talks abstract page|Participants talks - abstract page]]''' | ||
+ | |||
+ | '''[[Basic literature on VB theory|Basic literature on VB theory]]''' | ||
'''[[VB tutorial|Tutorials]]''' | '''[[VB tutorial|Tutorials]]''' | ||
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</big></big> | </big></big> |
Dernière version du 23 juillet 2012 à 16:11
Monday | Tuesday | Wednesday | Thursday | Friday | |
---|---|---|---|---|---|
8:30 | Opening | ||||
09:00-11:00 | VB lecture I - Philippe C. HIBERTY
VB lecture II - Philippe C. HIBERTY |
Extension lecture :
VB lecture VI - Sason S. SHAIK |
VB lecture VIII - Yirong MO Extension lecture :
|
VB lecture V - David L. COOPER Extension lecture : |
Participants talks : Chairman's remarks :
|
11:00-11:30 | BREAK | BREAK | BREAK | BREAK | BREAK |
11:30-12:30 | VB lecture III - Wei WU |
VB lecture VII - Sason S. SHAIK |
Participants talks : |
Extension lecture :
Participant talk : |
Participants talks : |
12:30-14:30 | Welcome buffet lunch | Organized lunch | Lunch | Lunch | Lunch |
14:30-15:30 | VB lecture IV - Peifeng SU
|
Participants talks : |
Participant talk : |
Free time |
|
15:30-18:30 | VB tutorial |
VB tutorial |
VB tutorial |
Free time | VB tutorial |
Restaurant suggestions | Restaurant suggestions | Restaurant suggestions | Workshop banquet |
Participants talks - abstract page