Difference between revisions of "Publications"

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=== Zero-Variance Zero-Bias principle and its Applications (Forces) ===
 
=== Zero-Variance Zero-Bias principle and its Applications (Forces) ===
 
* [http://localhost '''Zero-variance principle for Monte Carlo algorithms''']<br> R. Assaraf and M. Caffarel, Phys. Rev. Lett. vol. 83, 4682 (1999)
 
* [http://localhost '''Zero-variance principle for Monte Carlo algorithms''']<br> R. Assaraf and M. Caffarel, Phys. Rev. Lett. vol. 83, 4682 (1999)
* [http://localhost '''Computing forces with quantum Monte Carlo''']<br> R. Assaraf and M. Caffarel, J. Chem. Phys. vol. 113, 4028 (2000)
+
* [http://dx.doi.org/10.1063/1.1286598'''Computing forces with quantum Monte Carlo''']<br> R. Assaraf and M. Caffarel, J. Chem. Phys. vol. 113, 4028 (2000)
 
* [http://localhost '''Zero-Variance Zero-Bias Principle for Observables in quantum Monte Carlo: Application to Forces'''] <br> R. Assaraf and M. Caffarel J. Chem. Phys. vol. 119, 10536 (2003)
 
* [http://localhost '''Zero-Variance Zero-Bias Principle for Observables in quantum Monte Carlo: Application to Forces'''] <br> R. Assaraf and M. Caffarel J. Chem. Phys. vol. 119, 10536 (2003)
 
* [http://link.aps.org/abstract/PRE/v75/e035701 '''Improved Monte Carlo estimators for the one-body density'''] <br> R. Assaraf, M. Caffarel, A. Scemama, Phys. Rev. E. Rapid communications, Vol. 75, pp. 035701 (2007)
 
* [http://link.aps.org/abstract/PRE/v75/e035701 '''Improved Monte Carlo estimators for the one-body density'''] <br> R. Assaraf, M. Caffarel, A. Scemama, Phys. Rev. E. Rapid communications, Vol. 75, pp. 035701 (2007)

Revision as of 14:25, 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

The lithium-thiophene interaction: a critical study using highly-correlated electronic structure approaches of quantum chemistry
M. Caffarel, A. Scemama, A. Ramirez-Solis
Theoretical Chemistry Accounts 126(3) 275, (2010).

Other publications