Difference between revisions of "Publications"

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* [http://dx.doi.org/10.1063/1.454227'''Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman-Kac formula. I. Formalism''']<br> M. Caffarel and P. Claverie, J. Chem. Phys. vol. 88, 1088 (1988)
 
* [http://dx.doi.org/10.1063/1.454227'''Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman-Kac formula. I. Formalism''']<br> M. Caffarel and P. Claverie, J. Chem. Phys. vol. 88, 1088 (1988)
 
* [http://dx.doi.org/10.1063/1.454228'''Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman-Kac formula. II. Application to simple systems'''] <br> M. Caffarel and P. Claverie, J. Chem. Phys. vol. 88, 1100(1988)
 
* [http://dx.doi.org/10.1063/1.454228'''Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman-Kac formula. II. Application to simple systems'''] <br> M. Caffarel and P. Claverie, J. Chem. Phys. vol. 88, 1100(1988)
* [http://localhost '''Comment on Feynman-Kac Path-Integral Calculation of the Ground-State Energies of Atoms'''] <br> M. Caffarel, D.M. Ceperley, and M.H. Kalos, Phys. Rev. Lett. vol. 71, 2159 (1993)
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* [http://10.1103/PhysRevLett.71.2159'''Comment on Feynman-Kac Path-Integral Calculation of the Ground-State Energies of Atoms'''] <br> M. Caffarel, D.M. Ceperley, and M.H. Kalos, Phys. Rev. Lett. vol. 71, 2159 (1993)
 
* [http://localhost '''Diffusion Monte Carlo Methods with a fixed number of walkers''']<br> R. Assaraf, M. Caffarel, and A. Khelif, Phys. Rev. E. vol. 61, 4566 (2000)
 
* [http://localhost '''Diffusion Monte Carlo Methods with a fixed number of walkers''']<br> R. Assaraf, M. Caffarel, and A. Khelif, Phys. Rev. E. vol. 61, 4566 (2000)
 
* [http://dx.doi.org/10.1063/1.2354490 '''An efficient sampling algorithm for variational Monte Carlo'''] <br> A. Scemama, T. Lelièvre, G. Stoltz, E. Cancès, M. Caffarel, J. Chem. Phys, Vol. 125, pp. 114105 (2006)
 
* [http://dx.doi.org/10.1063/1.2354490 '''An efficient sampling algorithm for variational Monte Carlo'''] <br> A. Scemama, T. Lelièvre, G. Stoltz, E. Cancès, M. Caffarel, J. Chem. Phys, Vol. 125, pp. 114105 (2006)

Revision as of 16:31, 26 October 2011

Our recent publications

QMC publications by scientific activities

QMC Reviews

  • 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.
  • 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)
  • 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).
  • 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).

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

The sign problem

Nodal properties

Chemical applications

Other publications