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Version du 3 avril 2017 à 13:19
CECAM Workshop on ab initio Valence Bond and Non-Orthogonal CI approaches
27-30 March 2017, Institut Henri Poincarré (IHP), 11, rue Pierre et Marie Curie Paris 75005, Paris
<Mulliken | Pauling > = 0?
Local organizers: Benoît BRAÏDA and Peter REINHARDT
Organizers: Paul W. AYERS, Benoît BRAÏDA, David L COOPER, Peter REINHARDT and Wei WU
Supported by
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- CECAM
- Institut du Calcul et de la Simulation (ICS)
- Laboratoire de Chimie Théorique of the UPMC
- Institut Parisien de Chimie Physique et Théorique
- Labex MiChem
Purposes:
The purpose of this workshop is to bring together leading researchers in the VB and Nonorthogonal-CI communities in order to:
- share recent advances and new ideas in nonorthogonal orbital-based formalisms, useful approximations to the exact Schrödinger equation, and algorithms or implementations ;
- to identify and to start to address current challenges and limitations of nonorthogonal and/or VB-related type of approaches.
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