396
Références
53. E. Cancès, SCF algorithms for Hartree-Fock electronic calculations, in : Lecture
Notes in Chemistry 74 (2001) 17–43.
54. E. Cancès and C. Le Bris, On the convergence of SCF algorithms for the
Hartree-Fock equations, M
2 AN 34 (2000) 749–774.
55. E. Cancès and C. Le Bris, On the perturbation methods for some nonlinear
Quantum Chemistry models, Math. Mod. and Meth. in App. Sci. 8 (1998)
55–94.
56. E. Cancès and C. Le Bris, On the time-dependent Hartree-Fock equations coupled with a classical nuclear dynamics, Mathematical Models and Methods in
Applied Sciences, 9, 7, pp 963–990, 1999.
57. E. Cancès, C. Le Bris and M. Pilot, Contrôle optimal bilinéaire sur une équation
de Schrödinger, C. R. Acad. Sci. Paris Série 1 330 (2000) 567–571.
58. E. Cancès, C. Le Bris, Y. Maday and G. Turinici, Towards reduced basis approaches in ab initio electronic computations, J. Scientific Computing 17 (2002)
461–469.
59. E. Cancès, C. Le Bris, B. Mennucci and J. Tomasi, Integral Equation Methods
for Molecular Scale Calculations in the liquid phase, Math. Mod. and Meth. in
App. Sci 9 (1999) 35–44.
60. E. Cancès and C. Le Bris (2000), Can we outperform the DIIS approach for
electronic structure calculations, Int. J. Quantum Chem. 79 (2000) 82–90.
61. I. Catto and P.-L. Lions, Binding of atoms and stability of molecules in Hartree
and Thomas-Fermi type theories, Parts I, II, III, IV, Comm. Part. Diff. Equ.,
17 and 18 (1992 and 1993).
62. R. Car and M. Parrinello, Unified approach for molecular dynamics and density
functional theory, Phys. Rev. Letters 55 (1985) 2471–2474.
63. I. Catto, C. Le Bris and P.-L. Lions, Limite thermodynamique pour des modèles
de type Thomas-Fermi, C. R. Acad. Sci. Paris Série I 322 (1996) 357–364.
64. I. Catto, C. Le Bris and P.-L. Lions, Mathematical theory of thermodynamic
limits : Thomas-Fermi type models, Oxford University Press 1998.
65. I. Catto, C. Le Bris and P.-L. Lions, Sur la limite thermodynamique pour des
modèles de type Hartree-Fock, C. R. Acad. Sci. Paris Série I 327 (1998) 259–266.
66. I. Catto, C. Le Bris and P-L. Lions, On the thermodynamic limit for HartreeFock type models, Annales de l’Institut Henri Poincaré, Analyse non linéaire
18 (2001) 687–760.
67. I. Catto, C. Le Bris and P-L. Lions, On some periodic Hartree-type models for
crystals, Annales de l’Institut Henri Poincaré, Analyse non linéaire 19 (2002)
143–190.
68. I. Catto, C. Le Bris and P-L. Lions, Recent mathematical results on the quantum modelling of crystals, dans Mathematical models and methods for ab initio
Quantum Chemistry, Lecture Notes in Chemistry 74, pages 95–119.
69. G. Chaban, M.W. Schmidt, and M.S. Gordon, Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions, Theor. Chem.
Acc. 97 (1997) 88–95.
70. J.M. Chadam and R.T. Glassey, Global existence of solutions to the Cauchy
problem for time-dependent Hartree equations, J. Math. Phys. 16 (1975) 1122–
1230.
Références
53. E. Cancès, SCF algorithms for Hartree-Fock electronic calculations, in : Lecture
Notes in Chemistry 74 (2001) 17–43.
54. E. Cancès and C. Le Bris, On the convergence of SCF algorithms for the
Hartree-Fock equations, M
2 AN 34 (2000) 749–774.
55. E. Cancès and C. Le Bris, On the perturbation methods for some nonlinear
Quantum Chemistry models, Math. Mod. and Meth. in App. Sci. 8 (1998)
55–94.
56. E. Cancès and C. Le Bris, On the time-dependent Hartree-Fock equations coupled with a classical nuclear dynamics, Mathematical Models and Methods in
Applied Sciences, 9, 7, pp 963–990, 1999.
57. E. Cancès, C. Le Bris and M. Pilot, Contrôle optimal bilinéaire sur une équation
de Schrödinger, C. R. Acad. Sci. Paris Série 1 330 (2000) 567–571.
58. E. Cancès, C. Le Bris, Y. Maday and G. Turinici, Towards reduced basis approaches in ab initio electronic computations, J. Scientific Computing 17 (2002)
461–469.
59. E. Cancès, C. Le Bris, B. Mennucci and J. Tomasi, Integral Equation Methods
for Molecular Scale Calculations in the liquid phase, Math. Mod. and Meth. in
App. Sci 9 (1999) 35–44.
60. E. Cancès and C. Le Bris (2000), Can we outperform the DIIS approach for
electronic structure calculations, Int. J. Quantum Chem. 79 (2000) 82–90.
61. I. Catto and P.-L. Lions, Binding of atoms and stability of molecules in Hartree
and Thomas-Fermi type theories, Parts I, II, III, IV, Comm. Part. Diff. Equ.,
17 and 18 (1992 and 1993).
62. R. Car and M. Parrinello, Unified approach for molecular dynamics and density
functional theory, Phys. Rev. Letters 55 (1985) 2471–2474.
63. I. Catto, C. Le Bris and P.-L. Lions, Limite thermodynamique pour des modèles
de type Thomas-Fermi, C. R. Acad. Sci. Paris Série I 322 (1996) 357–364.
64. I. Catto, C. Le Bris and P.-L. Lions, Mathematical theory of thermodynamic
limits : Thomas-Fermi type models, Oxford University Press 1998.
65. I. Catto, C. Le Bris and P.-L. Lions, Sur la limite thermodynamique pour des
modèles de type Hartree-Fock, C. R. Acad. Sci. Paris Série I 327 (1998) 259–266.
66. I. Catto, C. Le Bris and P-L. Lions, On the thermodynamic limit for HartreeFock type models, Annales de l’Institut Henri Poincaré, Analyse non linéaire
18 (2001) 687–760.
67. I. Catto, C. Le Bris and P-L. Lions, On some periodic Hartree-type models for
crystals, Annales de l’Institut Henri Poincaré, Analyse non linéaire 19 (2002)
143–190.
68. I. Catto, C. Le Bris and P-L. Lions, Recent mathematical results on the quantum modelling of crystals, dans Mathematical models and methods for ab initio
Quantum Chemistry, Lecture Notes in Chemistry 74, pages 95–119.
69. G. Chaban, M.W. Schmidt, and M.S. Gordon, Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions, Theor. Chem.
Acc. 97 (1997) 88–95.
70. J.M. Chadam and R.T. Glassey, Global existence of solutions to the Cauchy
problem for time-dependent Hartree equations, J. Math. Phys. 16 (1975) 1122–
1230.