378 articles – 175 Notices  [english version]
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5 documents classés par :
fulltext accessible on an other server Local Exchange Potentials for Electronic Structure Calculations
Cances E., Stoltz G., Scuseria G. E., Staroverov V. N., Davidson E. R.
Mathematics in Action 2, 1 (2009) 1-42 [hal-00186926 - version 1]
fulltext access On Kohn-Sham models with LDA and GGA exchange-correlation functionals
Anantharaman A., Cancès E.
[inria-00325660 - version 1] (29/09/2008)
An efficient sampling algorithm for variational Monte Carlo
Scemama A., Lelievre T., Stoltz G., Cancès E., Caffarel M.
The Journal of Chemical Physics 125 (2006) 114105 [hal-00180163 - version 1]
Computing electronic structures: a new multiconfiguration approach for excited states
Cancès E., Galicher H., Lewin M.
Journal of Computational Physics 212 (2006) 73--98 [hal-00093538 - version 1]
fulltext access Optimisation numérique et contrôle optimal : applications en chimie moléculaire
Ben Haj Yedder A.
Ecole des Ponts ParisTech (2002-12-13), Le Bris Claude (Dir.) [tel-00005677 - version 1]