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Sixth International meeting :

"Mathematical Methods for Ab Initio Quantum Chemistry"

18-19 November 2010

Laboratoire J.A. Dieudonné
CNRS et Université de Nice - Sophia-Antipolis


Thursday, 18.11

Quantum chemical methods for the ro-vibrational Schrödinger equation (chairman Frédéric Patras)

12h30-15h30   Welcome buffet + Poster session

Brian Sutcliffe, The calculation of molecular spectra from the time of Bjerrum to the present day ( abstract, presentation )
16h30-17h30   Ove Christiansen, New approaches for calculating anharmonic vibrational wave functions and vibrational spectra ( abstract, presentation )

17h30-18h00   Coffee break

Patrick Cassam-Chenaï, A new approach for calculating rotational spectra ( abstract, presentation )

19h30 Dinner

Friday, 19.11

Dealing with symmetry and dimensionality issues: new developments (chairman
Yann Bouret)

9h00-10h00   Michaël Rey, On the development of theoretical methods for describing highly excited ro-vibrational states in polyatomic molecules ( abstract, presentation )

10h00-11h00   Joel Bowman, Potential energy surfaces and quantum vibrational calculations in high dimensionality ( abstract, presentation )

11h00-11h20   Coffee break

11h20-12h20   Benny Gerber, Anharmonic Vibrational Spectroscopy Calculations for Large Molecular Systems: Methods, Algorithms and Applications (abstract, presentation)

12h45 Lunch

New applications
to astrochemical systems (chairman Patrick Cassam-Chenaï)

14h30-15h30   Laurent Jutier, Renner-Teller Effect in Tetra-Atomic Molecules ( abstract, presentation )

15h30-16h30   Maria-Luisa Senent, Ab initio studies of the far-infrared spectrum of non-rigid molecules of astrophysical interest ( abstract, presentation )

16h30-17h00   Coffee Break

17h00-18h00   Van Oanh Nguyen Thi, Recent theoretical developments in infrared spectral simulations of large gazeous molecules. Applications to astrophysics.( abstract, presentation )