Programme

Tuesday 3^rd – Morning

8:30-9:30

Registration

9:30 -9:45

Welcome forewords: Nathalie Guihéry and Nicolas Destainville

9:45- 10:00

Chairman : JP Malrieu

Wave Function based Methods I

10:00- 10:30

Debashis Mukherjee 

Exploring interlacing and avoided crossings of a manifold of potential energy surfaces by spin-free state specific many-body approaches

10:30- 11:00

Rodney J. Bartlett

The devil’s triangle in KS-DFT calculations and how to fix it

11:00- 11:30

Coffee Break

11:30- 12:00

Celestino Angeli

The orthogonal valence bond view of the electronic structure

12:00- 12:30

Emmanuel Giner

One of JP's delight: dressing matrices for interpreting calculations

Tuesday 3^rd- Afternoon

13:45-14:15

Registration

14:15-14:30

Chairwoman: Otilia Mó

Everything Jean-Paul Always Wanted to Know But Was Afraid to Ask (EJPAWKBWAA) I

14:30-15:00

Michel Caffarel

Some aspects of QMC

15:00-15:30

Anthony Scemama

Dressing the configuration interaction matrix with explicit correlation

15:30-16:00

Coffee Break

16:00-16 :30

Rémi Maurice

The consequences of the spin-orbit coupling made simple: Tips and tricks

16:30-17:00

Arjan Berger

Avoiding the many-body wave function: densities, currents and Green functions

17:00-17:30

Santiago Alvarez

Continuity and Discontinuity in the

Periodic System

Wednesday 4^th - Morning

8:45-9:00

Chairman : JL Heully

Relativistic effects (EJPAWKBWAA) II

9:00- 9:30

Valérie Vallet

Relativistic Correlated Methods for Predictions of Volatile Plutonium Thermodynamic Properties

9:30- 10:00

Ephraim Eliav

Extended Periodic Table with the Intermediate Hamiltonian approach

10:00- 10:30

Trond Saue

X2C as an effective Hamiltonian

10:30- 11:00

Coffee Break

11:00- 11:15

Chairman : E. Fromager

DFT methods (EJPAWKBWAA) III

11:15- 11:45

Andreas Savin

On connecting density functional approximations to theory

11:45- 12:15

Julien Toulouse

Accelerating quantum-chemistry wave-function calculations with density-functional theory

12:15- 12:45

Fernand Spiegelman

Progress and Applications of Density Functional based Tight Binding Theory

Wednesday 4^th Afternoon

13:00-13:30

Registration

14:00-14:15

Chairman: S. Capponi

Methods for strongly correlated periodic systems

14:15-14:45

Didier Poilblanc

Frustrated quantum spin systems: from Lanczos ED to Entanglement-based methods

14:45-15:15

Nathalie Guihéry

Real Space Renormalization Group with Effective Interactions (RSRG-EI) : an application of the Effective Hamiltonian Theory to highly correlated systems

15:15-15:45

Coffee Break

15:45-16:00

Chairman: T. Leininger

Wave Function based Methods II

16:00-16:30

Shuhua Li

Advances in Electronic Structure Methods

16:30-17:00

Pierre-François Loos

Selected CI for Excited States

17:00-17:30

Philippe Hiberty

Pleading for a dual MO-VB culture

17:30-18:00

Stefano Evangelisti 

Clifford Boundary Conditions for Periodic Systems

18:00-19:00

Poster Session

Thursday 5^th - Morning

8:45- 9:00

Chairwoman: I. Ciofini

Molecular magnetism

9:00- 9:30

Carmen Calzado

Unified mechanism of the magnetostructural transitions in copper-nitroxide based switchable molecular magnets

9:30- 10:00

Ria Broer

Magnetic Interactions and Quantum Chemistry

10:00- 10:30

Boris Tsukerblat

Symmetry assisted approach to multidimensional electron-vibrational molecular problems: theoretical background and applications

10:30- 10:45

Coffee Break

10:45- 11:15

Vincent Robert

Proper Definition of Molecular Orbitals

11:15- 11:45

Boris Le Guennic

Ab-initio Study of CD and CPL properties of

transition metal and lanthanide complexes

11:45- 12:15

Coen de Graaf

GronOR: A program for non-orthogonal configuration interaction

12:15- 12:45

Mihail Atanasov

Prediction of Single Molecule Magnets with the aid of Ab Initio Quantum Chemistry as implemented in the ORCA package

Thursday 5^th Afternoon

14:00-15:30

Chairwoman R. Caballol

Records from Friends

15:30-16:00

Coffee Break

16:00-17:30

Chairwoman R. Caballol

Records from Friends

19:30

Conference dinner

Hôtel d’Assézat

Friday 6^th – Morning

8:45- 9:00

Chairman: R. Chauvin

Understanding : Experimentalists point of view

9:00- 9:30

Michel Verdaguer

Models and Magnetic Materials

9:30- 10:00

Talal Mallah

Tuning Zero-Field Splitting parameters in pentacoordinate Ni(II) complexes, experience and theory

10:00- 10:30

Eugenio Coronado

Quantum evolution in Molecular Magnetism

10:30- 11:00

Coffee Break

11:00- 11:30

Jacques Vigué

Matter wave interferometry : macroscopic wavefunctions for physics and metrology

11:30- 12:00

Jean-Jacques Girerd

Some more Double Exchange?

Friday 6^th – Afternoon

13:30- 13:45

Chairman : M. Yañez Understanding: theoreticians point of view

13:45- 14:15

Roald Hoffmann

Chemistry in art, art in chemistry, and the spiritual ground they share

14:15- 14:45

Jean-Marc Levy Leblond

Seven enigmas of the sp(h)in(x)

14:45- 15:15

Frank Neese

Surprise package

15:15- 15:45

Jean-Paul Malrieu

Pleasures of a Quantum Chemist

15:45- 16:00

Discussion and concluding remarks

16:00-16:30

Coffee break