Difference between revisions of "Publications"

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=== Perturbation Theory with QMC. Applications to interaction energies and polarizabilities ===
 
=== Perturbation Theory with QMC. Applications to interaction energies and polarizabilities ===
* [http://localhost '''Quantum Monte Carlo-Perturbation Calculations of Interaction Energies''']<br>M. Caffarel and O. Hess, Phys. Rev. A vol. 43, 2139 (1991)
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* [http://dx.doi.org/10.1103/PhysRevA.43.2139 '''Quantum Monte Carlo-Perturbation Calculations of Interaction Energies''']<br>M. Caffarel and O. Hess, Phys. Rev. A vol. 43, 2139 (1991)
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Obernai.pdf '''Computing Response Properties with Quantum Monte Carlo''']<br> M. Caffarel and O. Hess in AIP Conference Proceedings No 239, Advances in Biomolecular Simulations Obernai, France 1991 pp. 20-32
 
* [http://qmcchem.ups-tlse.fr/files/caffarel/Obernai.pdf '''Computing Response Properties with Quantum Monte Carlo''']<br> M. Caffarel and O. Hess in AIP Conference Proceedings No 239, Advances in Biomolecular Simulations Obernai, France 1991 pp. 20-32
 
* [http://localhost '''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://localhost '''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)

Revision as of 16:35, 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