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== Schedule ==
 
== Schedule ==
  
 +
{| border="5" |
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! <font color="blue">Mercredi 27 novembre </font>
 +
Jussieu, Bat. Esclangon, Amphi Durand
 +
! <font color="blue">Jeudi 28 novembre</font>
 +
Jussieu, Bat. Esclangon, Amphi Durand
 +
! <font color="blue">Vendredi 29 novembre</font>
 +
Jussieu, Bat. Esclangon, Amphi Durand
 +
|- align="left"
 +
!'''<font color="red">8:30-9:00 Accueil</font>'''!! !!
 +
|- align="left"
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! ''<font color="grey">Animateur: Andreas Savin</font>''
 +
'''9:00-10:30 [[Réunion_GDR_2013_Résumés#Perspectives on density-functional theory and density-matrix functional theory|Evert Jan Baerends]]'''
 +
 +
!''<font color="grey">Chair: Julien Toulouse</font>''
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'''9:00-9:25''' [[Réunion_GDR_2013_Résumés#A multi-state multi-reference coupled cluster formalism|Jean-Paul Malrieu]]
 +
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'''9:25-9:50''' [[Réunion_GDR_2013_Résumés#Fonctions d’onde multi-déterminantales sélectionnées pour les calculs Monte Carlo quantique|Emmanuel Giner]]
 +
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'''9:50-10:15''' [[Réunion_GDR_2013_Résumés#Quantum Monte Carlo study of protonated water dimer|Mario Dagrada]]
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!''<font color="grey">Chair: Paola Nava</font>''
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'''9:00-9:25''' [[Réunion_GDR_2013_Résumés#Numerical correlation-energy functional for lattice density-functional theory: A systematic approach to the ground-state properties of strongly correlated systems|Matthieu Saubanère]]
 +
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'''9:25-9:50''' [[Réunion_GDR_2013_Résumés#Towards systematically improvable models for heavy elements in condensed phase with frozen density embedding|Andre Gomes]]
 +
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'''9:50-10:15''' [[Réunion_GDR_2013_Résumés#An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems|Antoine Marion]]
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|-align="left"
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!  <font color="green">10:30-10:45 Pause café (Caves Esclangon)</font>
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!
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<font color="green">10:30-10:45 Pause café (Caves Esclangon)</font>
 +
!
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<font color="green">10:30-10:45 Pause café (Hall Esclangon)</font>
 +
|-align="left"
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!''<font color="grey">Animateur: Michel Caffarel</font>''
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'''10:45-12:15''' [[Réunion_GDR_2013_Résumés#Perspectives on strongly correlated electrons|Garnet Chan]]
 +
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!''<font color="grey">Chair: Carlo Adamo</font>''
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'''10:45-11:10''' [[Réunion_GDR_2013_Résumés#Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique|Daniel Borgis]]
 +
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'''11:10-11:35''' [[Réunion_GDR_2013_Résumés#Etude DFT et multi configurationelle de la spectroscopie et de la fragmentation du cation de la benzophénone|Noura Khemiri]]
 +
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'''11:35-12:00''' [[Réunion_GDR_2013_Résumés#L'approche Broken Symmetry dans le formalisme UDFT : prise en compte de la corrélation statique|Asma Marzouk]]
 +
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!''<font color="grey">Chair: Michele Casula</font>''
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'''10:45-11:10''' [[Réunion_GDR_2013_Résumés#Calculation of screened coulomb interaction in strongly correlated f electron solids|Bernard Amadon]]
 +
 +
'''11:10-11:35''' [[Réunion_GDR_2013_Résumés#Local and nonlocal correlations in strongly correlated systems: Insights into two-dimensional systems of adatoms on surfaces from self-consistently combined GW and dynamical mean field theory|Thomas Ayral]]
 +
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'''11:35-12:00''' [[Réunion_GDR_2013_Résumés#Determination of the One-particle Green's Function: Freedom and Constraints|Giovanna Lani]]
 +
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'''12:00-12:25''' [[Réunion_GDR_2013_Résumés#Close coupling CI-approach of atomic and molecular collisions: new perspectives on inner-shell processes in H+ - Li|Gabriel Labaigt]]
 +
|-align="left"
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!  <font color="green">12:15-14:15 Déjeuner : Buffet (Caves Esclangon)</font>
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!  <font color="green">12:00-14:00 Déjeuner : L'Ardoise (Jussieu, Tour 25)</font>
 +
''<font color="grey">(Réunion du bureau du GDR pendant le déjeuner)</font>''
 +
!
 +
|-align="left"
 +
!''<font color="grey">Animateur: Chantal Daniel</font>''
 +
'''14:15-15:45''' [[Réunion_GDR_2013_Résumés#Perspectives on coupled-cluster methods|Jürgen Gauss]]
 +
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!''<font color="grey">Chair: Emmanuel Fromager</font>''
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'''14:00-14:25''' [[Réunion_GDR_2013_Résumés#Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: Theory and applications to the benzene dimer|Dario Rocca]]
 +
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'''14:25-14:50''' [[Réunion_GDR_2013_Résumés#Analytical gradients of random phase approximation correlation energies in range-separated-hybrid context: Theory and implementation|Bastien Mussard]]
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'''14:50-15:15''' [[Réunion_GDR_2013_Résumés#Noyau de corrélation Bethe-Salpeter dépendant de la fréquence pour le calcul des énergies d’excitation en TDDFT|Elisa Rebolini]]
 +
 +
!
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|-align="left"
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!  <font color="green">15:45-16:00 Pause café (Caves Esclangon)</font>
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!
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<font color="green">15:15-17:00 [[Réunion_GDR_2013_Programme#Affiches (Jeudi)|Posters]] +café (Caves Esclangon)</font>
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|-align="left"
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!''<font color="grey">Animateur: Peter Reinhardt</font>''
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'''16:00-17:30''' [[Réunion_GDR_2013_Résumés#Perspectives on correlated linear-scaling methods|Christian Ochsenfeld]]
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'' ''
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!''<font color="grey">Chair: Nadia Ben Amor</font>''
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'''17:00-17:25''' [[Réunion_GDR_2013_Résumés#On the combination of range-separated density-functional perturbation theory with optimized effective potential techniques|Alexandrina Stoyanova]]
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'''17:25-17:50''' [[Réunion_GDR_2013_Résumés#Connexion adiabatique généralisée pour un ensemble d’états excités partiellement occupés : exemple de H2| Odile Franck]]
 +
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'''17:50-18:15''' [[Réunion_GDR_2013_Résumés#Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions|Lucas Baguet]]
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|-align="left"
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|
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<font color="green">'''19:30 [[R%C3%A9union_GDR_2013_Informations_pratiques#Dîner|Dîner à La Coupole (inscription obligatoire)]]''' </font>
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!
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|}
  
 
== Practical details ==
 
== Practical details ==
  
 
* '''IMPORTANT:''' To facilitate the participation of young researchers, no registration fees will be asked and housing in student-type accomodation will be offered.
 
* '''IMPORTANT:''' To facilitate the participation of young researchers, no registration fees will be asked and housing in student-type accomodation will be offered.

Version du 22 octobre 2016 à 15:23

Mini-school on mathematics in electronic structure theory of GDR CORREL

Maths1.jpg


  • Date: 09-11 January 2017
  • Location: Université Pierre et Marie Curie (UPMC), Jussieu campus, 4 place Jussieu, 75005, Paris.

Laboratoire Jacques-Louis Lions, corridor 15-16, 3rd floor, room 309

  • Lecturers: Eric Cancès and Trygve Helgaker
  • Organizers: Michel Caffarel, Eric Cancès, Emmanuel Fromager, Julien Toulouse.


Presentation

  • The lectures delivered are intended to be of interest to any person working in the field of electronic structure theory and willing to discover or deepen the mathematical aspects of the methods. PhD students, post-docs or any academic are welcome!
  • To provide a detailed presentation of subjects, we have chosen to give a good amount of time to each lecturer. The workshop will thus involve only two lecturers over a three-day period.


Program

Two lectures will be proposed:

  • 1) Operator theory for electronic structure calculation by Eric CANCES, Ecole des Ponts and INRIA, Paris, France

Indicative program (subject to changes and extension):

- Hilbert spaces
- Linear operators on Hilbert spaces
- Self-adjointness
- Spectra of self-adjoint operators: point vs continuous spectrum, discrete vs essential spectrum
- Some examples in quantum chemistry: N-body Schödinger equation, Hartree-Fock and Kohn-Sham hamiltonians
- Some examples in solid state physics: Bloch theory, periodic Kohn-Sham hamiltonians


  • 2) Fundamentals of DFT (tentative title) by Trygve HELGAKER Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, Norway

Indicative program (subject to changes and extension):

- Hohenberg–Kohn theory (Hohenberg–Kohn theorem and concavity, Lieb variation principles, v-representable densities, etc.)
- Levy–Lieb constrained-search theory, N-representable densities, the Levy–Lieb constrained-search functional, etc
- Lieb convex-conjugate theory, convex functions and convex conjugation, the Lieb convex-conjugate functional, etc
- Discontinuity and nondifferentiability of the universal functional conditions, etc.
- and much more.


Schedule

Mercredi 27 novembre

Jussieu, Bat. Esclangon, Amphi Durand

Jeudi 28 novembre

Jussieu, Bat. Esclangon, Amphi Durand

Vendredi 29 novembre

Jussieu, Bat. Esclangon, Amphi Durand

8:30-9:00 Accueil
Animateur: Andreas Savin

9:00-10:30 Evert Jan Baerends

Chair: Julien Toulouse

9:00-9:25 Jean-Paul Malrieu

9:25-9:50 Emmanuel Giner

9:50-10:15 Mario Dagrada

Chair: Paola Nava

9:00-9:25 Matthieu Saubanère

9:25-9:50 Andre Gomes

9:50-10:15 Antoine Marion

10:30-10:45 Pause café (Caves Esclangon)

10:30-10:45 Pause café (Caves Esclangon)

10:30-10:45 Pause café (Hall Esclangon)

Animateur: Michel Caffarel

10:45-12:15 Garnet Chan

Chair: Carlo Adamo

10:45-11:10 Daniel Borgis

11:10-11:35 Noura Khemiri

11:35-12:00 Asma Marzouk

Chair: Michele Casula

10:45-11:10 Bernard Amadon

11:10-11:35 Thomas Ayral

11:35-12:00 Giovanna Lani

12:00-12:25 Gabriel Labaigt

12:15-14:15 Déjeuner : Buffet (Caves Esclangon) 12:00-14:00 Déjeuner : L'Ardoise (Jussieu, Tour 25)

(Réunion du bureau du GDR pendant le déjeuner)

Animateur: Chantal Daniel

14:15-15:45 Jürgen Gauss

Chair: Emmanuel Fromager

14:00-14:25 Dario Rocca

14:25-14:50 Bastien Mussard

14:50-15:15 Elisa Rebolini

15:45-16:00 Pause café (Caves Esclangon)

15:15-17:00 Posters +café (Caves Esclangon)

Animateur: Peter Reinhardt

16:00-17:30 Christian Ochsenfeld

Chair: Nadia Ben Amor

17:00-17:25 Alexandrina Stoyanova

17:25-17:50 Odile Franck

17:50-18:15 Lucas Baguet

19:30 Dîner à La Coupole (inscription obligatoire)

Practical details

  • IMPORTANT: To facilitate the participation of young researchers, no registration fees will be asked and housing in student-type accomodation will be offered.
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