. Ce-mouvement-de-rebond-va-engendrer-une-onde-de-choc, autre atome de sodium aura, quantàquantà lui, un mouvement rectiligne uniforme, d` es le début de la dynamique. Malgré ce rebond de l'ion Na + permettant de transférer de l'´ energiè a la matrice, la dissociation de la molécule est inévitable facè a l'importante quantité d'´ energie déposée initialement (de 7.5 eV) En effet, au bout d'une picoseconde, l'ion et l'atome de sodium serontcompì etement libres, alors que la matrice va progressivement se mettrè a vibrer

V. A. Apkarian and N. Schwentner, Molecular Photodynamics in Rare Gas Solids, Chemical Reviews, vol.99, issue.6, p.1481, 1999.
DOI : 10.1021/cr9404609

V. E. Bondybey, M. Räsänen, and A. Lammers, Chapter 10. Rare-gas matrices, their photochemistry and dynamics: recent advances in selected areas, Annual Reports Section "C" (Physical Chemistry), vol.71, p.331, 1999.
DOI : 10.1039/pc095331

R. Alimi, R. B. Gerber, and V. A. Apkarian, in crystalline Ar, The Journal of Chemical Physics, vol.92, issue.6, p.4856, 1990.
DOI : 10.1063/1.457864

H. Kunttu, J. Feld, R. Alimi, A. Becker, and V. A. Apkarian, Charge transfer and radiative dissociation dynamics in fluorine???doped solid krypton and argon, The Journal of Chemical Physics, vol.92, issue.8, p.4856, 1990.
DOI : 10.1063/1.457703

R. Alimi, R. B. Gerber, and V. A. Apkarian, in solid Kr: Theory versus experiment, Physical Review Letters, vol.66, issue.10, p.1295, 1991.
DOI : 10.1103/PhysRevLett.66.1295

R. Zadoyan, Z. Li, P. Ashjian, C. C. Martens, and V. A. Apkarian, Femtosecond dynamics of coherent photodissociation???recombination of I2 isolated in matrix Ar, Chemical Physics Letters, vol.218, issue.5-6, p.504, 1994.
DOI : 10.1016/0009-2614(94)00035-2

M. Ovchinnikov and V. A. Apkarian, isolated in solid Kr, The Journal of Chemical Physics, vol.105, issue.23, p.10312, 1996.
DOI : 10.1063/1.472959

Z. Li, R. Zadoyan, V. A. Apkarian, and C. C. Martens, Femtosecond Many-Body Dynamics of Caging: Experiment and Simulation of I2 Photodissociation-Recombination in Solid Ar, The Journal of Physical Chemistry, vol.99, issue.19, p.7453, 1995.
DOI : 10.1021/j100019a031

Z. Bihary, R. B. Gerber, and V. A. Apkarian, Vibrational self-consistent field approach to anharmonic spectroscopy of molecules in solids: Application to iodine in argon matrix, The Journal of Chemical Physics, vol.115, issue.6, p.2695, 2001.
DOI : 10.1063/1.1384870

Z. Bihary, R. Zadoya, M. Karavitis, and V. A. Apkarian, Dynamics and the breaking of a driven cage: I2 in solid Ar, The Journal of Chemical Physics, vol.120, issue.16, p.7675, 2004.
DOI : 10.1063/1.1689958

T. Kiviniemi, J. Aumanen, P. Myllyperkiö, V. A. Apkarian, and M. Pettersson, Time-resolved coherent anti-Stokes Raman-scattering measurements of I2 in solid Kr: Vibrational dephasing on the ground electronic state at 2.6???32 K, The Journal of Chemical Physics, vol.123, issue.6, p.64509, 2005.
DOI : 10.1063/1.1990115

R. Alimi and B. Gerber, HI, Physical Review Letters, vol.64, issue.12, p.1453, 1990.
DOI : 10.1103/PhysRevLett.64.1453

A. Garcia-vela, B. Gerber, D. G. Imre, and J. J. Valentini, Resonances in the photolysis of HCl in Ar-CHl: Imaging of a resonance wave function in the photofragment angular distribution, Physical Review Letters, vol.71, issue.6, p.931, 1993.
DOI : 10.1103/PhysRevLett.71.931

M. Bargheer, N. Y. Niv, B. Gerber, and N. Schwentner, Ultrafast Solvent-Induced Spin-Flip and Nonadiabatic Coupling: ClF in Argon Solids, Physical Review Letters, vol.89, issue.10, p.108301, 2002.
DOI : 10.1103/PhysRevLett.89.108301

F. Spiegelman and M. Gro?, Theoretical study of spectroscopical properties of Na and Na 2 in argon clusters and matrices, J. Chem. Phys, vol.108, p.4148, 1998.

B. Gervais, E. Giglio, A. Ipatov, and J. Douady, Effective numerical method for theoretical studies of small atomic clusters, Computational Materials Science, vol.35, issue.3, p.359, 2006.
DOI : 10.1016/j.commatsci.2004.07.015

H. Partridge and C. W. Bauschlicher, The importance of valencep functions in the bonding of Na2, K2, and Cu2 and their positive and negative ions, Theoretica Chimica Acta, vol.14, issue.3-4, p.201, 1992.
DOI : 10.1007/BF01132829

W. Kohn and L. J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.140, issue.4A, p.1133, 1965.
DOI : 10.1103/PhysRev.140.A1133

B. Gervais, E. Giglio, E. Jacquet, A. Ipatov, P. Reinhard et al., Simple DFT model of clusters embedded in rare gas matrix: Trapping sites and spectroscopic properties of Na embedded in Ar, The Journal of Chemical Physics, vol.121, issue.17, p.8466, 2004.
DOI : 10.1063/1.1789473

B. Gervais, E. Giglio, E. Jacquet, A. Ipatov, P. Reinhard et al., Spectroscopic properties of Na clusters embedded in a rare-gas matrix, Physical Review A, vol.71, issue.1, p.15201, 2005.
DOI : 10.1103/PhysRevA.71.015201
URL : https://hal.archives-ouvertes.fr/hal-01084905

F. Fehrer, P. Reinhard, E. Suraud, E. Giglio, B. Gervais et al., Linear and non-linear response of embedded Na clusters, Applied Physics A, vol.116, issue.1, p.151, 2005.
DOI : 10.1007/s00339-005-3353-7
URL : https://hal.archives-ouvertes.fr/hal-01084911

M. Hartmann, J. Pittner, and V. Bonancic-koutecky, nonadiabatic dynamics involving conical intersection combined with Wigner distribution approach to ultrafast spectroscopy illustrated on Na3F2 cluster, The Journal of Chemical Physics, vol.114, issue.5, p.2123, 2001.
DOI : 10.1063/1.1336142

G. Durand, M. C. Heitz, F. Spiegelmann, C. Meier, R. Mitric et al., Different approaches for the calculation of electronic excited states of nonstoichiometric alkali halide clusters: The example of Na3F, The Journal of Chemical Physics, vol.121, issue.20, p.9898, 2004.
DOI : 10.1063/1.1802432
URL : https://hal.archives-ouvertes.fr/hal-00003366

M. C. Heitz, G. Durand, F. Spiegelmann, C. Meier, R. Mitric et al., Ultrafast excited state dynamics of the Na3F cluster: Quantum wave packet and classical trajectory calculations compared to experimental results, The Journal of Chemical Physics, vol.121, issue.20, p.9906, 2004.
DOI : 10.1063/1.1802451
URL : https://hal.archives-ouvertes.fr/hal-00003367

C. John and . Tully, Molecular dynamics with electronic transitions, J. Chem. Phys, vol.93, p.1061, 1990.

C. John and . Tully, Nonadiabatic Molecular Dynamics, Int. Journ. Quant. Chem, vol.25, p.299, 1991.

D. Bonhommeau, Dynamique de fragmentation d'agrégats de gaz rares monochargés en phase gazeuse etàetà l'intérieur de nanogouttes d'hélium, soutenue le 15 juin, 2006.

R. F. Barrow, J. Verges, C. Effantin, K. Hussein, and J. , Long-range potentials for the X1???g+ And (1)1??g states and the dissociation energy of Na2, Chemical Physics Letters, vol.104, issue.2-3, p.179, 1984.
DOI : 10.1016/0009-2614(84)80192-X

M. Gühr, Coherent dynamics of small molecules in rare gas crystals, 2005.

C. Cohen-tannoudji, J. Dupont-roc, and G. Grynberg, Processus d'interaction entre photons et atomes, Editions du CNRS, 1996.

P. Pulay, calculation of force constants and equilibrium geometries in polyatomic molecules, Molecular Physics, vol.56, issue.2, p.197, 1969.
DOI : 10.1063/1.1670299

J. Douady, B. Gervais, E. Giglio, A. Ipatov, and E. Jacquet, Spectroscopic properties of in bulk and on the surface of Ar droplets, Journal of Molecular Structure, vol.786, issue.2-3, p.118, 2006.
DOI : 10.1016/j.molstruc.2005.09.027

R. P. Feynman, Forces in Molecules, Physical Review, vol.56, issue.4, p.340, 1939.
DOI : 10.1103/PhysRev.56.340

J. Hellmann, Einführung in die Quantenchemie, 1937.

S. Gräfe, M. Erdmann, and V. Engel, Population transfer in the multiphoton excitation of molecules, Physical Review A, vol.72, issue.1, p.13404, 2005.
DOI : 10.1103/PhysRevA.72.013404

P. W. Atkins and R. S. Friedman, Molecular Quantum Mechanics, 2001.

A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, 1996.

S. Wolfram, The MATHAMATICA, 5 th ed. Wolfram Media, 2003.

E. R. Davidson, The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices, Journal of Computational Physics, vol.17, issue.1, p.87, 1975.
DOI : 10.1016/0021-9991(75)90065-0

W. H. Press, W. T. Vetterling, S. A. Teukolsky, and B. P. Flannery, Numerical Recipies in C, 1988.

B. R. Brooks, W. D. Laidig, P. Saxe, J. D. Goddard, Y. Yamaguchi et al., Analytic gradients from correlated wave functions via the two???particle density matrix and the unitary group approach, The Journal of Chemical Physics, vol.72, issue.8, p.4652, 1980.
DOI : 10.1063/1.439707

Y. Osamura, Y. Yamaguchi, and H. F. Schaefer, Analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces. A method for open???shell molecular wave functions, The Journal of Chemical Physics, vol.75, issue.6, p.2919, 1981.
DOI : 10.1063/1.442381

J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Derivative studies in hartree-fock and m??ller-plesset theories, International Journal of Quantum Chemistry, vol.50, issue.S13, p.225, 1979.
DOI : 10.1002/qua.560160825

M. Hartmann, J. Pittner, H. Van-dam, and V. Bonancic-koutecky, Theoretical study of femtosecond pump???probe signals of nonstoichiometric alkali halide clusters, The European Physical Journal D, vol.9, issue.1, p.393, 1999.
DOI : 10.1007/s100530050464

M. Hartmann, J. Pittner, and V. Bonancic-koutecky, adiabatic dynamics involving excited states combined with Wigner distribution approach to ultrafast spectroscopy illustrated on alkali halide clusters, The Journal of Chemical Physics, vol.114, issue.5, p.2106, 2001.
DOI : 10.1063/1.1336141

W. Domcke, D. R. Yarkony, and H. Köppel, Conical intersections, Electronic Structure, Dynamics and Spectroscopy, World Scientific, 2004.

J. Y. Fang and S. Hammes-schiffer, Improvement of the Internal Consistency in Trajectory Surface Hopping, The Journal of Physical Chemistry A, vol.103, issue.47, p.9399, 1999.
DOI : 10.1021/jp991602b

L. C. Bailling, M. D. Havey, and J. F. Dawson, Absorption and emission spectra of Na atoms trapped in rare???gas matrices, The Journal of Chemical Physics, vol.69, issue.4, p.1670, 1978.
DOI : 10.1063/1.436743

L. C. Bailling, J. F. Dawson, M. D. Havey, and J. J. Wright, Optical Pumping between Levels of a Bistable State of Alkali Atoms Trapped in Rare-Gas Matrices, Physical Review Letters, vol.43, issue.6, p.435, 1979.
DOI : 10.1103/PhysRevLett.43.435

S. Tam, M. E. Fajardoar, /. Na, N. /. Kr, and . Xe, Matrix isolation spectroscopy of metal atoms generated by laser ablation. III. The Na/Ar, Na/Kr, and Na/Xe systems, The Journal of Chemical Physics, vol.99, issue.2, p.854, 1993.
DOI : 10.1063/1.465348

D. C. Silverman and M. E. Fajardo, Matrix isolation spectroscopy of Na atoms deposited as Na+ ions, The Journal of Chemical Physics, vol.106, issue.22, p.8964, 1997.
DOI : 10.1063/1.474029

M. Quigley, Luminescence Spectroscopy of Sodium Atoms and Dimers in the Solid Rare Gases, 2002.

D. Beeman, Some multistep methods for use in molecular dynamics calculations, Journal of Computational Physics, vol.20, issue.2, p.130, 1976.
DOI : 10.1016/0021-9991(76)90059-0

D. Frenkel and B. Smith, Understanding Molecular Simulation. Academic, 1996.

C. Hartwigsen, S. Goedecker, and J. Hutter, Relativistic separable dual-space Gaussian pseudopotentials from H to Rn, Physical Review B, vol.58, issue.7, p.3641, 1998.
DOI : 10.1103/PhysRevB.58.3641

R. A. Ahlrichs, P. Penco, and C. Scoles, Intermolecular forces in simple systems, Chemical Physics, vol.19, issue.2, p.119, 1977.
DOI : 10.1016/0301-0104(77)85124-0

C. Bordas, P. Labastie, J. Chevaleyre, and M. Broyer, MQDT analysis of rovibrational interactions and autoionization in Na2 Rydberg states, Chemical Physics, vol.129, issue.1, p.21, 1989.
DOI : 10.1016/0301-0104(89)80016-3

K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure Constants of Diatomic Molecules, 1979.

R. D. Hudson, Measurements of the Molecular Absorption Cross Section and the Photoionization of Sodium Vapor between 1600 and 3700 ??, The Journal of Chemical Physics, vol.43, issue.5, p.1790, 1965.
DOI : 10.1063/1.1697010

N. W. Carlson, A. J. Taylor, and A. L. Schwalow, by Two-Step Polarization Labeling, Physical Review Letters, vol.45, issue.1, p.18, 1980.
DOI : 10.1103/PhysRevLett.45.18

R. F. Barrow, N. Travis, and C. V. Wright, Excited Electronic States of Lithium and Sodium Molecules, Nature, vol.55, issue.4732, p.141, 1960.
DOI : 10.1063/1.1749560

S. Martin, J. Chevaleyre, C. Bordas, S. Valignat, and M. Broyer, : Decoupling between electronic and nuclear motion, The Journal of Chemical Physics, vol.79, issue.9, p.4132, 1983.
DOI : 10.1063/1.446362

S. Magnier and F. Masnou-seeuws, Model potentiel calculations for the excited and Rydberg states of the Na + 2 molecular ion : Potentiel curves, dipole and quadrupole transition moments

V. Bonacic-koutecky, J. Pittner, C. Fuchs, P. Fantucci, M. G. Guest et al., clusters: Interpretation of depletion spectra at low temperature, The Journal of Chemical Physics, vol.104, issue.4, p.1427, 1996.
DOI : 10.1063/1.470909

A. Roach, Theoretical ground state and excited state potential energy curves for alkali diatomic molecules, Journal of Molecular Spectroscopy, vol.42, issue.1, p.27, 1972.
DOI : 10.1016/0022-2852(72)90140-3

S. Magnier, . Ph, O. Millié, F. Dulieu, and . Masnou-seeuws, ) dissociation limit: Results of two different effective potential calculations, The Journal of Chemical Physics, vol.98, issue.9, p.7113, 1993.
DOI : 10.1063/1.464755

J. L. Martins, J. Buttet, and R. Car, Electronic and structural properties of sodium clusters, Physical Review B, vol.31, issue.4, p.1804, 1985.
DOI : 10.1103/PhysRevB.31.1804

W. Müller and W. Meyer, calculations with effective core polarization potentials, The Journal of Chemical Physics, vol.80, issue.7, p.3311, 1984.
DOI : 10.1063/1.447084

A. Henriet and F. Masnou-seeuws, Model potential calculations for the ground, excited and Rydberg 2?? states of Li2+, Na2+ and K2+: Core polarization effects, Chemical Physics Letters, vol.101, issue.6, p.535, 1983.
DOI : 10.1016/0009-2614(83)87029-8

J. Flad, H. Stoll, and H. Preuss, Calculation of equilibrium geometries and ionization energies of sodium clusters up to Na8, The Journal of Chemical Physics, vol.71, issue.7, p.3042, 1979.
DOI : 10.1063/1.438710

W. Demtröder and M. Stock, Molecular constants and potential curves of Na2 from laser-induced fluorescence, Journal of Molecular Spectroscopy, vol.55, issue.1-3, p.476, 1975.
DOI : 10.1016/0022-2852(75)90285-4

M. E. Kaminsky, New spectrosco??cspectrosco??c constants and RKR potential for the A 1 ? + u state of Na * 2, J

P. Kusch and M. M. Hessel, An analysis of the B???1??u???X???1???+g band system of Na2, The Journal of Chemical Physics, vol.68, issue.6, p.2591, 1978.
DOI : 10.1063/1.436117

W. A. De-heer, The physics of simple metal clusters: experimental aspects and simple models, Reviews of Modern Physics, vol.65, issue.3, p.611, 1993.
DOI : 10.1103/RevModPhys.65.611

M. Foucrault, P. Millié, and J. P. Daudey, molecules, The Journal of Chemical Physics, vol.96, issue.2, p.1257, 1992.
DOI : 10.1063/1.462162

F. Spiegelman, D. Pavolini, and J. P. Daudey, molecule, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.22, issue.16, p.2465, 1989.
DOI : 10.1088/0953-4075/22/16/005
URL : https://hal.archives-ouvertes.fr/hal-00128700

D. Maynau and J. P. Daudey, Alkali dimers ground-state calculations using pseudopotentials, Chemical Physics Letters, vol.81, issue.2, p.273, 1981.
DOI : 10.1016/0009-2614(81)80251-5

B. Gerber and R. Möller, Optical-optical double-resonance spectroscopy of high vibrational levels of the Na2 A 1??u+ state in a molecular beam, Chemical Physics Letters, vol.113, issue.6, p.546, 1985.
DOI : 10.1016/0009-2614(85)85029-6

R. Brühl, J. Kapetanakis, and D. Zimmermann, ?? state by laser spectroscopy, The Journal of Chemical Physics, vol.94, issue.9, p.5865, 1991.
DOI : 10.1063/1.460470

D. Schwarzhans and D. Zimmermann, High resolution laser spectroscopy of NaAr: Improved interaction potential for the ground state, The European Physical Journal D, vol.22, issue.2, p.193, 2003.
DOI : 10.1140/epjd/e2002-00242-8

M. B. Hadj-rhouma, H. Berriche, Z. B. Lakhdar, and F. Spiegelman, One-electron pseudopotential calculations of excited states of LiAr, NaAr, and KAr, The Journal of Chemical Physics, vol.116, issue.5, p.1839, 2002.
DOI : 10.1063/1.1429247

G. Aepfelbach, A. Nunneman, and D. Zimmermann, Laser spectroscopic investigation of the X 2??1/2 state of the van der Waals molecule NaAr, Chemical Physics Letters, vol.96, issue.3, p.311, 1983.
DOI : 10.1016/0009-2614(83)80679-4

J. Tellinghuisen, A. Ragone, M. S. Kim, J. Auerbach, R. E. Smalley et al., The dispersed fluorescence spectrum of NaAr: Ground and excited state potential curves, The Journal of Chemical Physics, vol.71, issue.3, p.1283, 1979.
DOI : 10.1063/1.438428

R. Düren and W. Gröger, A determination of the Na???Ar ground state potential from differential cross section measurements, Chemical Physics Letters, vol.56, issue.1, p.67, 1978.
DOI : 10.1016/0009-2614(78)80188-2

R. Düren, W. Gröger, E. Hasselbrink, and R. Liedtke, ?? potentials for the systems NaAr, NaKr, and NaXe, The Journal of Chemical Physics, vol.74, issue.12, p.6806, 1981.
DOI : 10.1063/1.441087

R. P. Saxon and R. E. Olson, Ab initio calculations for the X???2??, A???2??, and B???2?? states of NaAr: Emission spectra and cross sections for fine-structure transitions in Na???Ar collisions, The Journal of Chemical Physics, vol.67, issue.6, p.2692, 1998.
DOI : 10.1063/1.435183

L. C. Bailling and J. J. Wright, Computer simulation of site formation for Na atoms trapped in Ar and Xe solids, The Journal of Chemical Physics, vol.81, issue.2, p.675, 1984.
DOI : 10.1063/1.447702

P. Baumann, D. Zimmermann, and R. Brühl, Laser spectroscopic investigation of the van der Waals molecule NaXe, Journal of Molecular Spectroscopy, vol.155, issue.2, p.277, 1992.
DOI : 10.1016/0022-2852(92)90517-R

R. E. Smalley, D. A. Auerbach, P. S. Fitch, D. H. Levy, and L. Wharton, Laser spectroscopic measurement of weakly attractive interatomic potentials: The Na+Ar interaction, The Journal of Chemical Physics, vol.66, issue.8, p.3778, 1977.
DOI : 10.1063/1.434370

J. Grosser, O. Hoffmann, and F. Rebenstrost, ?? potentials of NaNe and NaAr by differential optical collision experiments, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.33, issue.16, p.577, 2000.
DOI : 10.1088/0953-4075/33/16/103

L. C. Bailling and J. J. Wright, Computer simulation of site formation for Na atoms trapped in Ar and Xe solids, The Journal of Chemical Physics, vol.81, issue.2, p.675, 1984.
DOI : 10.1063/1.447702

B. Meyer, Absorption Spectrum of Na and K in Rare???Gas Matrices, The Journal of Chemical Physics, vol.43, issue.9, p.2986, 1965.
DOI : 10.1063/1.1697262

L. Verlet, Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules, Physical Review, vol.159, issue.1, p.98, 1967.
DOI : 10.1103/PhysRev.159.98

M. Ovchinnikov and V. A. Apkarian, Mixed-order semiclassical dynamics in coherent state representation: The connection between phonon sidebands and guest???host dynamics, The Journal of Chemical Physics, vol.108, issue.6, p.2277, 1998.
DOI : 10.1063/1.475612

D. R. Lide, Handbook of Chemistry and Physics, 1995.

F. Conus, Spectroscopie optique de petits agrégats d'argent et d'or déposés dans une matrice d'argon, soutenue en Novembre, 2005.