Difference between revisions of "Michel Caffarel"

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* [http://dx.doi.org/10.1103/PhysRevA.47.3704 '''Evaluating Dynamic Multipole Polarizabilities and van Der Waals Dispersion Coefficients of two-electron Systems with a Quantum Monte Carlo Calculation: A Comparison with some ''Ab Initio'' Calculations''']<br> M. Caffarel, M. Rérat, and C. Pouchan, Phys. Rev. A vol.47, 3704 (1993)
 
* [http://dx.doi.org/10.1103/PhysRevA.47.3704 '''Evaluating Dynamic Multipole Polarizabilities and van Der Waals Dispersion Coefficients of two-electron Systems with a Quantum Monte Carlo Calculation: A Comparison with some ''Ab Initio'' Calculations''']<br> M. Caffarel, M. Rérat, and C. Pouchan, Phys. Rev. A vol.47, 3704 (1993)
 
* [http://dx.doi.org/10.1063/1.471209'''A quantum Monte Carlo perturbational study of the He-He interaction''']<br> C. Huiszoon and  M. Caffarel, J. Chem. Phys. vol. 104, 4621 (1996)
 
* [http://dx.doi.org/10.1063/1.471209'''A quantum Monte Carlo perturbational study of the He-He interaction''']<br> C. Huiszoon and  M. Caffarel, J. Chem. Phys. vol. 104, 4621 (1996)
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* [http://localhost '''Dynamic Polarizabilities andvvan der Waals Coefficients of the 2^1S and 2^3S MetastablevStates of Helium''']<br> M. Rérat, M. Caffarel, and C. Pouchan, Phys. Rev A vol. 48, 161 (1993).
  
 
<B> Perturbation Theory with SAPT </B>
 
<B> Perturbation Theory with SAPT </B>
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* [http://localhost '''Gutzwiller Wave Function for a Model of Strongly Interacting Bosons'''] <br> W. Krauth, M. Caffarel and J.P. Bouchaud, Phys. Rev B vol. 45, 3137 (1992).
 
* [http://localhost '''Gutzwiller Wave Function for a Model of Strongly Interacting Bosons'''] <br> W. Krauth, M. Caffarel and J.P. Bouchaud, Phys. Rev B vol. 45, 3137 (1992).
 
* [http://localhost '''Dynamic Polarizabilities andvvan der Waals Coefficients of the 2^1S and 2^3S MetastablevStates of Helium''']<br> M. Rérat, M. Caffarel, and C. Pouchan, Phys. Rev A vol. 48, 161 (1993).
 
  
 
* [http://localhost '''Exact Diagonalization Approach to Correlated Fermions in Infinite Dimensions: Mott Transition and Superconductivity Model'''] <br> M. Caffarel and W. Krauth, Phys. Rev. Lett. vol.72, 1545 (1994)
 
* [http://localhost '''Exact Diagonalization Approach to Correlated Fermions in Infinite Dimensions: Mott Transition and Superconductivity Model'''] <br> M. Caffarel and W. Krauth, Phys. Rev. Lett. vol.72, 1545 (1994)

Revision as of 15:38, 23 March 2012

Photo dumas.jpg

Directeur de Recherches au Centre National de la Recherche Scientifique (CNRS)
Lab. de Chimie et Physique Quantiques "(LCPQ)
Université Paul Sabatier " (UPS) and University of Toulouse (UT)
Phone: +33 5 61 55 60 46
Fax: +33 5 61 55 60 65
E-mail: "mailto:caffarel@irsamc.ups-tlse.fr"
Mail: CNRS-Lab. de Chimie et Physique Quantiques
IRSAMC Université Paul Sabatier, 118 route de Narbonne
31062 Toulouse Cedex (FRANCE)

RESEARCH INTERESTS

N-body quantum problem in physics and chemistry

TEACHING

  • Advanced numerical course: "Simulating Complex Systems of Physics" (20 hrs) M2R Physique de la Matière, Université de Toulouse
  • "Exploring nuclear configuration space" (6 hrs) M2I Physique et Chimie pour le Vivant et la Santé (PCVS)

SCIENTIFIC COMMUNITY INVOLVEMENT

  • Board member of the Labex NEXT

PUBLICATIONS

Reviews

  • Quantum Monte Carlo in Chemistry M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bjorn Engquist, Springer (2011).
  • Fixed-Node Quantum Monte Carlo for Chemistry M. Caffarel and A. Ramirez-Solis, in The proceedings of the 14th International Conference: "Recent Progress in Many-Body Theories", edited by Jordi Boronat, Gregory Astrakharchik, and Ferran Mazzanti, World Scientific (2008).
  • A few aspects of QMC for molecules M. Caffarel, R. Assaraf, A. Khelif, A. Scemama, A. Ramirez-Solis, in "Mathematical and Numerical Aspects of Quantum Chemistry Problems", Mathematisches Forschunginstitut Oberwolfach, p.7 Report No.47/2006 (2006).
  • A pedagogical introduction to quantum Monte Carlo
    M. Caffarel, R. Assaraf in Mathematical models and methods for ab initio Quantum Chemistry in Lecture Notes in Chemistry, eds. M. Defranceschi and C.Le Bris, Springer p.45 (2000)
  • Stochastic methods in quantum mechanics
    M. Caffarel in Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules (Kluwer Academic Publishers, 1989), pp.85-105.

Methodology: General Aspects

Zero-Variance Zero-Bias principle and its Applications (Forces)

Trial wavefunctions

Electron Pair Localization Function

Maximum probability domains

QMC for vibrational levels

Perturbation Theory with QMC. Applications to interaction energies and polarizabilities

Perturbation Theory with SAPT

The fermion sign problem

Nodal properties of wavefunctions

Chemical applications

Theoretical condensed-matter physics (Hubbard and Heisenberg models)


Other publications