Table of contents
Table of contents
Mathematical Modelling and Numerical Analysis
Vol. 41 No. 2 (March-April 2007)
Special issue on Molecular Modelling
- Preface
p. 187
P.-L. Lions
PDF file (45.98 KB) - Diffusion Monte Carlo method: Numerical Analysis in a Simple Case
p. 189
Mohamed El Makrini, Benjamin Jourdain and Tony Lelièvre
Abstract | PDF file (379.0 KB) | References - Sparse grids for the Schrödinger equation
p. 215
Michael Griebel and Jan Hamaekers
Abstract | PDF file (12.31 MB) | References - First-order semidefinite programming for the two-electron treatment of
many-electron atoms and molecules
p. 249
David A. Mazziotti
Abstract | PDF file (193.8 KB) | References - Best N-term approximation in electronic structure calculations. II. Jastrow factors
p. 261
Heinz-Jürgen Flad, Wolfgang Hackbusch and Reinhold Schneider
Abstract | PDF file (292.1 KB) | References - Converging self-consistent field equations in quantum chemistry - recent achievements and remaining challenges
p. 281
Konstantin N. Kudin and Gustavo E. Scuseria
Abstract | PDF file (243.0 KB) | References - The time-dependent Born-Oppenheimer approximation
p. 297
Gianluca Panati, Herbert Spohn and Stefan Teufel
Abstract | PDF file (238.6 KB) | References - Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics
p. 315
Othmar Koch and Christian Lubich
Abstract | PDF file (236.5 KB) | References - Molecular Simulation in the Canonical Ensemble and Beyond
p. 333
Zhidong Jia and Ben Leimkuhler
Abstract | PDF file (807.4 KB) | References - Theoretical and numerical comparison of some sampling methods for
molecular dynamics
p. 351
Eric Cancès, Frédéric Legoll and Gabriel Stoltz
Abstract | PDF file (1.052 MB) | References - Atomistic to Continuum limits
for computational materials science
p. 391
Xavier Blanc, Claude Le Bris and Pierre-Louis Lions
Abstract | PDF file (411.9 KB) | References - 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
Abstract | PDF file (2.933 MB) | References
© EDP Sciences, SMAI 2007