ESAIM: Mathematical Modelling and Numerical Analysis

Free Access

Foreword

Preface p. 187

P.-L. Lions

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007025

• Abstract
• PDF (42.92 KB)

Free Access

Diffusion Monte Carlo method: Numerical Analysis in a Simple Case p. 189

Mohamed El Makrini, Benjamin Jourdain and Tony Lelièvre

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007017

• Abstract
• PDF (373.4 KB)
• References

Free Access

Sparse grids for the Schrödinger equation p. 215

Michael Griebel and Jan Hamaekers

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007015

• Abstract
• PDF (12.30 MB)
• References

Free Access

First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules p. 249

David A. Mazziotti

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007021

• Abstract
• PDF (190.0 KB)
• References

Free Access

Best N-term approximation in electronic structure calculations. II. Jastrow factors p. 261

Heinz-Jürgen Flad, Wolfgang Hackbusch and Reinhold Schneider

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007016

• Abstract
• PDF (286.9 KB)
• References

Free Access

Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges p. 281

Konstantin N. Kudin and Gustavo E. Scuseria

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007022

• Abstract
• PDF (239.1 KB)
• References

Free Access

The time-dependent Born-Oppenheimer approximation p. 297

Gianluca Panati, Herbert Spohn and Stefan Teufel

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007023

• Abstract
• PDF (233.9 KB)
• References

Free Access

Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics p. 315

Othmar Koch and Christian Lubich

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007020

• Abstract
• PDF (231.8 KB)
• References

Free Access

Molecular Simulation in the Canonical Ensemble and Beyond p. 333

Zhidong Jia and Ben Leimkuhler

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007019

• Abstract
• PDF (802.5 KB)
• References

Free Access

Theoretical and numerical comparison of some sampling methods for molecular dynamics p. 351

Eric Cancès, Frédéric Legoll and Gabriel Stoltz

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007014

• Abstract
• PDF (1.046 MB)
• References

Free Access

Atomistic to Continuum limits for computational materials science p. 391

Xavier Blanc, Claude Le Bris and Pierre-Louis Lions

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007018

• Abstract
• PDF (406.4 KB)
• References

Free Access

Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels p. 427

Emilio Silva, Clemens Först, Ju Li, Xi Lin, Ting Zhu and Sidney Yip

Published online: 16 June 2007

DOI: https://doi.org/10.1051/m2an:2007024

• Abstract
• PDF (2.927 MB)
• References