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