Program of the NCI workshop

<<< Topological Approaches to Intermolecular Interactions workshop main page

	Monday	Tuesday	Wednesday	Thursday	Friday
8:30	Opening
09:00-11:00	VB lecture I - Philippe C. HIBERTY Qualitative Valence Bond theory VB lecture II - Philippe C. HIBERTY Overview of ab initio Valence Bond methods	Extension lecture : Jean-Paul MALRIEU : VB reading of (post)CASSCF wave functions. The work of dynamical correlation VB lecture VI - Sason S. SHAIK Valence Bond diagrams for chemical reactivity - part 1	Chairman : Stéphane HUMBEL VB lecture VIII - Yirong MO Block-localized wavefunction (BLW) method and its applications Extension lecture : Clark LANDIS : VB reading from Natural Bond Orbital (NBO) analysis	09:00-10:45 • Chairman : Andreas SAVIN VB lecture V - David L. COOPER Spin-Coupled VB and CASVB methods and their applications Extension lecture : Katharina BOGUSLAWSKI	9:00-11:00 • Chairman : Andrei TCHOUGREEFF Participants talks : Jules T. MUYA Christine LEPETIT Josep M. OLIVA Zahid RASHID Chairman's remarks : Andrei TCHOUGREEFF : Adventures of (Valence) Bond In Wonderland
11:00-11:30	BREAK	BREAK	BREAK	BREAK	BREAK
11:30-12:30	VB lecture III - Wei WU Post-VBSCF methods including dynamical correlation	VB lecture VII - Sason S. SHAIK Valence Bond diagrams for chemical reactivity - part 2	11:30-12:45 • Chairwoman : Avital SHURKI Participants talks : Mario PIRIS Tom ZIEGLER	11:15-12:45 • Chairman : David L. COOPER Extension lecture : Gustavo SCUSERIA : Projected HF and beyond : Is there a VB connection? Participant talk : Celestino ANGELI	11:30-13:00 • Chairman : Etienne DERAT Participants talks : Avital SHURKI Samuel DE VISSER Lynn KAMERLIN
12:30-14:30	Welcome buffet lunch	Organized lunch	Lunch	Lunch	Lunch
14:30-15:30	VB lecture IV - Peifeng SU Practical guide for VB calculations Introduction to the VB tutorials	14:00-15:30 • Chairman : David DANOVICH Participants talks : Padeleimon KARAFILOGLOU Romain RAMOZZI Carol PARISH	14:45-15:30 • Chairman : Stéphane HUMBEL Participant talk : Jiali GAO	Free time	15:00-15:30 Yirong MO : Presentation of the BLW program Yannick CARISSAN : Presentation of the HuLiS program
15:30-18:30	Free discussions and VB tutorial	Free discussions and VB tutorial	Free discussions and VB tutorial	Free time	Free discussions and VB tutorial
	Restaurant suggestions	Restaurant suggestions	Restaurant suggestions	Workshop banquet

Location

Content of the lectures

Participants talks - abstract page

Basic literature on NCI

Tutorials

---

<<< NCI workshop main page