Difference between revisions of "Publications"

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== Our recent publications ==  
 
== Our recent publications ==  
* [http://qmcchem.ups-tlse.fr/files/caffarel/qmc_eacm.pdf  
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* [http://qmcchem.ups-tlse.fr/files/caffarel/qmc_eacm.pdf '''Quantum Monte Carlo in Chemistry'''] M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bjorn Engquist, Springer (2011).
'''Quantum Monte Carlo in Chemistry''']M. Caffarel, Encyclopedia of Applied and Computational Mathematics, ed. Bj\"orn Engquist, Springer (2011).
 
 
* [http://dx.doi.org/10.1063/1.3635403 '''On the stability of Be3: A benchmark complete active space self-consistent field + averaged quadratic coupled cluster study''']J. I. Amaro-Estrada, A. Scemama, M. Caffarel, and A. Ramírez-Solís, J. Chem. Phys. 135, 104311 (2011).
 
* [http://dx.doi.org/10.1063/1.3635403 '''On the stability of Be3: A benchmark complete active space self-consistent field + averaged quadratic coupled cluster study''']J. I. Amaro-Estrada, A. Scemama, M. Caffarel, and A. Ramírez-Solís, J. Chem. Phys. 135, 104311 (2011).
 
* [http://dx.doi.org/10.1103/PhysRevLett.106.150601 '''Chaotic versus Nonchaotic Stochastic Dynamics in Monte Carlo Simulations: A Route for Accurate Energy Differences of N-body systems''']R. Assaraf, M. Caffarel, and A. Kollias, Phys. Rev. Letters 106, 150601 (2011).
 
* [http://dx.doi.org/10.1103/PhysRevLett.106.150601 '''Chaotic versus Nonchaotic Stochastic Dynamics in Monte Carlo Simulations: A Route for Accurate Energy Differences of N-body systems''']R. Assaraf, M. Caffarel, and A. Kollias, Phys. Rev. Letters 106, 150601 (2011).

Revision as of 16:03, 5 January 2012

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