Program

 

 

The first two days of the program will concentrate on hard-core domains of Quantum Chemistry. The last two days will give place to contributions to opening subjects and epistemological discussions, as well as to some historical recalls and festive activities. This partition explains the two types of fees we propose.

 

Location: Hôtel d’Assézat, foundation Georges Bemberg

Place d’Assézat (Crossing between rue de Metz and rue de l’écharpe)

 

Program
 

 

 

 


Tuesday 3rd – 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 3rd- 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 4th - 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 4th 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 5th - 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 5th 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 6th – 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 6th – 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

 
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