Mathematical Methods for Ab Initio Quantum Chemistry
Friday, Oct. 20 ; Saturday, Oct. 21, 2006
 Lab. Dieudonné, Parc Valrose, Univ. Nice

Home Programme Organizing committee Practical informations Registration form

Scientific Program :

Friday, 20.10

Discrete versus continuous representation problems (chairman Patrick Cassam-Chenaï)

  9h30-10h00   Welcome Coffee 
10h00-11h00   Mireille Defranchesci, Numerical basis sets in quantum chemistry (abstract, presentation )
11h00-12h00   Yohan Scribano, Flexible potential energy surfaces from iterative calculations of rovibrational molecular states (abstract, presentation)

12h30 Lunch

Around reduced density matrices and Hopf algebra (chairmen Patrick Cassam-Chenaï, Frédéric Patras)

14h00-15h00   Paul Ayers, Variational Approaches to the N-representability Problem, (abstract, presentation)
15h00-16h00   Carmela Valdemoro, The contracted Schrodinger equation: Imposing spin-representability constraints upon the correlation matrix, (abstract, presentation)
16h00-16h30   Coffee Break
16h30-17h30   Alessandra Frabetti, Twist deformations of quantum field products and applications, (abstract, presentation )
17h30-18h30   Kurusch Ebrahimi-Fard, On Connes-Kreimer's beta function and renormalization group flow, (abstract, presentation)

19h30 Dinner  

Saturday, 21.10

Group theory applications   (chairman Christian Brouder)

  9h30-10h00   Coffee
10h00-11h00   Vincent Boudon, Symmetry-adapted tensorial formalism to model rovibrational and rovibronic molecular spectra, (abstract, presentation)
11h00-12h00   Frédéric Patras, Symmetry-Adapted Polynomial Basis for Global Potential Energy Surfaces - Applications to XY4 Molecules, (abstract, presentation, appendix)

12h30 Lunch 

List of participants