Références
395
34. X. Blanc, C. Le Bris and P-L. Lions, From molecular models to continuum
mechanics, Archive for Rational Mechanics and Analysis 164 (2002) 341–381.
35. X. Blanc, C. Le Bris and P-L. Lions, A definition of the ground state energy
for systems composed of infinitely many particles, Comm. P.D.E 28 (2003)
439–475.
36. X. Blanc, C. Le Bris and P-L. Lions, Convergence de modèles moléculaires vers
des modèles de mécanique des milieux continus, C. R. Acad. Sci. Paris Série I
332 (2001) 949–956.
37. O. Bokanowski and B. Grébert, A decomposition theorem for wavefunctions in
molecular quantum chemistry, Math. Mod. and Meth. in App. Sci. 6 (1996)
437–466.
38. O. Bokanowski and B. Grébert, Deformations of density functions in molecular
quantum chemistry, J. Math. Phys. 37 (1996) 1553–1557.
39. O. Bokanowski and M. Lemou, Fast multipole method for multidomensional
integrals, C. R. Acad. Sci. Paris Série I 326 (1998) 105–110.
40. J.-F. Bonnans, J.-C. Gilbert, C. Lemaréchal and C. Sagastizabal, Optimisation
Numérique : aspects théoriques et pratiques, Springer 1997.
41. M. Born and R. Oppenheimer, Zur Quantentheorie der Molekeln, Ann. Phys.
84 (1927) 457–484.
42. F. A. Bornemann, P. Nettersheim and Ch. Schütte, Quantum-classical molecular dynamics as an approximation to full quantum dynamics, J. Chem. Phys.
105 (1996) 1074–1083.
43. F.A. Bornemann and Ch. Schütte, A mathematical investigation of the CarParrinello method, Konrad-Zuse-Zentrum für Informationstechnik Berlin, Numer. Math. 78 (1998) 359–376
44. A. Bove, G. Da Prato and G. Fano, On the Hartree-Fock time-dependent problem, Commun. Math. Phys. 49 (1976) 25–33.
45. S.F. Boys, Electronic wavefunction I. A general method of calculation for
the stationary states of any molecular system, Proc. Roy. Soc. A 200 (1950)
542–554.
46. D. Braess, Asymptotics for the approximation of wave functions by sums of
exponential sums, J. Approximation Theory 83 (1995) 93–103.
47. H. Brézis, Analyse fonctionnelle, théorie et applications, Masson 1983.
48. P. Brumer and M. Shapiro, Laser control of chemical reactions, Scientific American (March 1995) 34–39.
49. A.G. Butkovskii and Yu.I. Samoilenko, Control of quantum-mechanical processes and systems, Kluwer Academic Publishers 1990.
50. E. Cancès, M. Defranceschi, W. Kutzelnigg, C. Le Bris and Y. Maday, Computational quantum chemistry : a primer, in : Handbook of numerical analysis.
Volume X : special volume : computational chemistry, Ph. Ciarlet and C. Le
Bris (eds), North Holland 2003.
51. E. Cancès, B. Jourdain and T. Lelièvre, Quantum Monte Carlo simulations of
fermions. A mathematical analysis of the fixed node approximation, preprint.
52. E. Cancès and B. Mennucci, The escaped charge problem in solvation continuum
models, J. Chem. Phys. 115 (2001) 6130–6135.
395
34. X. Blanc, C. Le Bris and P-L. Lions, From molecular models to continuum
mechanics, Archive for Rational Mechanics and Analysis 164 (2002) 341–381.
35. X. Blanc, C. Le Bris and P-L. Lions, A definition of the ground state energy
for systems composed of infinitely many particles, Comm. P.D.E 28 (2003)
439–475.
36. X. Blanc, C. Le Bris and P-L. Lions, Convergence de modèles moléculaires vers
des modèles de mécanique des milieux continus, C. R. Acad. Sci. Paris Série I
332 (2001) 949–956.
37. O. Bokanowski and B. Grébert, A decomposition theorem for wavefunctions in
molecular quantum chemistry, Math. Mod. and Meth. in App. Sci. 6 (1996)
437–466.
38. O. Bokanowski and B. Grébert, Deformations of density functions in molecular
quantum chemistry, J. Math. Phys. 37 (1996) 1553–1557.
39. O. Bokanowski and M. Lemou, Fast multipole method for multidomensional
integrals, C. R. Acad. Sci. Paris Série I 326 (1998) 105–110.
40. J.-F. Bonnans, J.-C. Gilbert, C. Lemaréchal and C. Sagastizabal, Optimisation
Numérique : aspects théoriques et pratiques, Springer 1997.
41. M. Born and R. Oppenheimer, Zur Quantentheorie der Molekeln, Ann. Phys.
84 (1927) 457–484.
42. F. A. Bornemann, P. Nettersheim and Ch. Schütte, Quantum-classical molecular dynamics as an approximation to full quantum dynamics, J. Chem. Phys.
105 (1996) 1074–1083.
43. F.A. Bornemann and Ch. Schütte, A mathematical investigation of the CarParrinello method, Konrad-Zuse-Zentrum für Informationstechnik Berlin, Numer. Math. 78 (1998) 359–376
44. A. Bove, G. Da Prato and G. Fano, On the Hartree-Fock time-dependent problem, Commun. Math. Phys. 49 (1976) 25–33.
45. S.F. Boys, Electronic wavefunction I. A general method of calculation for
the stationary states of any molecular system, Proc. Roy. Soc. A 200 (1950)
542–554.
46. D. Braess, Asymptotics for the approximation of wave functions by sums of
exponential sums, J. Approximation Theory 83 (1995) 93–103.
47. H. Brézis, Analyse fonctionnelle, théorie et applications, Masson 1983.
48. P. Brumer and M. Shapiro, Laser control of chemical reactions, Scientific American (March 1995) 34–39.
49. A.G. Butkovskii and Yu.I. Samoilenko, Control of quantum-mechanical processes and systems, Kluwer Academic Publishers 1990.
50. E. Cancès, M. Defranceschi, W. Kutzelnigg, C. Le Bris and Y. Maday, Computational quantum chemistry : a primer, in : Handbook of numerical analysis.
Volume X : special volume : computational chemistry, Ph. Ciarlet and C. Le
Bris (eds), North Holland 2003.
51. E. Cancès, B. Jourdain and T. Lelièvre, Quantum Monte Carlo simulations of
fermions. A mathematical analysis of the fixed node approximation, preprint.
52. E. Cancès and B. Mennucci, The escaped charge problem in solvation continuum
models, J. Chem. Phys. 115 (2001) 6130–6135.