. Dans-beaucoup-de-cas, le comportement non-adiabatique du système est lié à une augmentation de la vitesse de collision projectile/cible. A partir d'une certaine vitesse critique, des transitions non-adiabatiques deviennent possibles Xe * /Surface métallique, traités dans cette thèse présentent des exemples d'un tel comportement, Mais dans le cas de H ? /Li/Al, les transitions non-adiabatiques existent même à de très basses vitesses

. Dans-ce-cas, couplage très fort des états du projectile et de l'adsorbat avec la surface métallique. On a trouvé que dans ce dernier cas, la vue de deux états adiabatiques est trompeuse, car une des résonances ne se distingue plus du continuum métallique. Tous ces aspects peuvent être présents dans de nombreux systèmes

. Comme-premier-exemple, ions avec des systèmes de taille finie, telles que des couches minces, des agrégats ou des nanoobjects La méthode de LEIS a été proposée pour sonder la structure électronique de tels objets Mais il a été montré (Usman et al, 2001) qu'à partir d'une certaine vitesse de collision, les transitions nonadiabatiques peuvent effacer l'effet quantique de la taille finie de la cible, et la dynamique de TCR peut être celle d'une cible solide semi-infinie, 2001.

. Hellman, adsorption d'une molécule O 2 sur une surface métallique de Al Dans ce système, l'adsorption est associée à un changement de la charge de la molécule Ce processus a été étudié dans le cadre d'approches théoriques ab-initio (DFT), qui sont des approches adiabatiques. Mais ces études n'étaient pas capables de reproduire les résultats expérimentaux. Il a été montré par Hellman et al, mique du transfert de charge, 2003.

P. W. Anderson, Localized Magnetic States in Metals, Physical Review, vol.124, issue.1, p.41, 1961.
DOI : 10.1103/PhysRev.124.41

D. R. Anderson, E. R. Behringer, and B. H. Copper, ???surface collisions, Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol.11, issue.4, p.2133, 1993.
DOI : 10.1116/1.578381

A. S. Askar and . Cakmak, Explicit integration method for the time-dependent Schrodinger equation for collision problems, The Journal of Chemical Physics, vol.68, issue.6, p.2794, 1978.
DOI : 10.1063/1.436072

C. Auth, H. Winter, A. G. Borisov, B. Bahrim, D. Teillet-billy et al., formation in grazing scattering from an Al(111) surface, Physical Review B, vol.57, issue.19, p.12579, 1998.
DOI : 10.1103/PhysRevB.57.12579

B. Bahrim, D. Teillet-billy, and J. P. Gauyacq, Non-adiabatic couplings in resonant charge transfer during atom???surface collisions, Surface Science, vol.431, issue.1-3, p.193, 1999.
DOI : 10.1016/S0039-6028(99)00497-5

B. Bahrim and U. Thumm, Electron transfer and orbital hybridization in slow collisions between excited hydrogen atoms and aluminum surfaces, Surface Science, vol.521, issue.1-2, p.84, 2002.
DOI : 10.1016/S0039-6028(02)02303-8

E. Baloïtcha, M. Desouter-lecomte, M. Bacchus-montabonel, and N. Vaeck, Wave packet methods for charge exchange processes in ion-atom collisions, The Journal of Chemical Physics, vol.114, issue.20, p.8741, 2001.
DOI : 10.1063/1.1367378

N. Balakrishnan and N. Sathyamurthy, Time-dependent wavepacket study of the collinear reaction He + H2+ ??? HeH+ + H, Chemical Physics Letters, vol.240, issue.1-3, p.119, 1995.
DOI : 10.1016/0009-2614(95)00514-5

Y. B. Band and S. Efrima, Green's-function calculation of surface properties associated with adsorption, Physical Review B, vol.28, issue.8, p.4126, 1983.
DOI : 10.1103/PhysRevB.28.4126

R. A. Baragiola and C. A. Dukes, Plasmon-Assisted Electron Emission from Al and Mg Surfaces by Slow Ions, Physical Review Letters, vol.76, issue.14, p.2547, 1996.
DOI : 10.1103/PhysRevLett.76.2547

M. Bauer, S. Pawlik, and M. Aeschlimann, Resonance lifetime and energy of an excited Cs state on Cu(111), Physical Review B, vol.55, issue.15, p.10040, 1997.
DOI : 10.1103/PhysRevB.55.10040

M. Bauer, S. Pawlik, and M. Aeschlimann, Decay dynamics of photoexcited alkali chemisorbates:???Real-time investigations in the femtosecond regime, Physical Review B, vol.60, issue.7, p.5016, 1999.
DOI : 10.1103/PhysRevB.60.5016

E. R. Behringer, D. R. Anderson, and B. H. Copper, with alkali-metal-covered Cu(001). I. Dynamics of charge state formation, Physical Review B, vol.54, issue.20, p.14765, 1996.
DOI : 10.1103/PhysRevB.54.14765

E. R. Behringer, D. R. Anderson, and B. H. Copper, with alkali-metal-covered Cu(001). II. Dynamics of excited-state formation, Physical Review B, vol.54, issue.20, p.14780, 1996.
DOI : 10.1103/PhysRevB.54.14780

G. Benedek and U. Valbusa, Dynamics of Gas-Surface Interaction, 1982.
DOI : 10.1007/978-3-642-86455-1

A. Benninghoven, F. G. Ruedenauer, and H. W. , Werner Secondary Ion Mass Spectrometry, 1987.

M. Berheim and F. Le-bourse, On the velocity dependence for negative ionization of atoms sputtered from cesiated surfaces: An experimental study, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.27, issue.1, p.94, 1987.
DOI : 10.1016/0168-583X(87)90010-3

W. Bloss and D. , Theory of charge exchange scattering from surfaces, Surface Science, vol.72, issue.2, p.277, 1978.
DOI : 10.1016/0039-6028(78)90296-0

J. Boeckhove and L. Lathouwers, Time-Dependent Quantum Molecular Dynamics, 1992.

M. Bonn, A. W. Kleyn, and G. L. Kroes, Real time chemical dynamics at surfaces, Surface Science, vol.500, issue.1-3, p.475, 2002.
DOI : 10.1016/S0039-6028(01)01550-3

A. G. Borisov, D. Teillet-billy, and J. P. Gauyacq, H??? formation by electron capture in hydrogen-Al(111) collisions: perturbative and nonperturbative approaches, Surface Science, vol.278, issue.1-2, p.99, 1992.
DOI : 10.1016/0039-6028(92)90586-U

A. G. Borisov, D. Teillet-billy, and J. P. Gauyacq, formation in H-Al(111) collisions, Physical Review Letters, vol.68, issue.18, p.2842, 1992.
DOI : 10.1103/PhysRevLett.68.2842

A. G. Borisov, D. Teillet-billy, and J. P. Gauyacq, Energy shift and broadening of H levels in front of a metal surface, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.78, issue.1-4, p.49, 1993.
DOI : 10.1016/0168-583X(93)95775-Z

A. G. Borisov, D. Teillet-billy, J. P. Gauyacq, H. Winter, and G. Dierkes, Resonant charge transfer in grazing scattering of alkali-metal ions from an Al(111) surface, Physical Review B, vol.54, issue.23, p.17166, 1996.
DOI : 10.1103/PhysRevB.54.17166

A. G. Borisov, R. Zimny, D. Teillet-billy, and J. P. Gauyacq, Energy and lifetime of one-electron multicharged-ion states in front of an Al surface, Physical Review A, vol.53, issue.4, p.2457, 1996.
DOI : 10.1103/PhysRevA.53.2457

A. G. Borisov, A. K. Kazansky, and J. P. Gauyacq, system, Physical Review B, vol.59, issue.16, p.10935, 1999.
DOI : 10.1103/PhysRevB.59.10935

URL : https://hal.archives-ouvertes.fr/hal-00676952

A. G. Borisov, A. K. Kazansky, and J. P. Gauyacq, Stabilisation of alkali-adsorbate-induced states on Cu(111) surfaces, Surface Science, vol.430, issue.1-3, p.165, 1999.
DOI : 10.1016/S0039-6028(99)00431-8

A. G. Borisov, J. P. Gauyacq, A. K. Kazansky, E. V. Chulkov, V. M. Silkin et al., Systems, Physical Review Letters, vol.86, issue.3, p.488, 2001.
DOI : 10.1103/PhysRevLett.86.488

URL : https://hal.archives-ouvertes.fr/hal-00306544

A. G. Borisov and J. P. Gauyacq, grazing scattering from a LiF(001) surface, Physical Review B, vol.62, issue.7, p.4265, 2000.
DOI : 10.1103/PhysRevB.62.4265

J. Bormet, J. Neugebauer, and M. Scheffler, Chemical trends and bonding mechanisms for isloated adsorbates on Al(111), Physical Review B, vol.49, issue.24, p.17242, 1994.
DOI : 10.1103/PhysRevB.49.17242

R. Brako and D. M. Newns, Charge exchange in atom-surface scattering: Thermal versus quantum mechanical non-adiabaticity, Surface Science, vol.108, issue.2, p.253, 1981.
DOI : 10.1016/0039-6028(81)90448-9

R. Brako and D. M. , Theory of electronic processes in atom scattering from surfaces, Reports on Progress in Physics, vol.52, issue.6, p.655, 1989.
DOI : 10.1088/0034-4885/52/6/001

J. Braun and P. Nordlander, Energies and lifetimes of xenon Rydberg states near a metal surface, Surface Science, vol.448, issue.1, p.193, 2000.
DOI : 10.1016/S0039-6028(99)01221-2

A. Bringer and J. Harris, Wavepacket study of a charge transfer system, Surface Science, vol.274, issue.3, p.403, 1992.
DOI : 10.1016/0039-6028(92)90845-W

J. Burgdörfer, Review of Fundamental Processes and Applications of Atoms and

J. Burgdörfer, P. Lerner, and F. W. Meyer, Above-surface neutralization of highly charged ions: The classical over-the-barrier model, Physical Review A, vol.44, issue.9, p.5674, 1991.
DOI : 10.1103/PhysRevA.44.5674

E. V. Chulkov, V. M. Silkin, and P. M. Echenique, Image potential states on metal surfaces: binding energies and wave functions, Surface Science, vol.437, issue.3, p.330, 1999.
DOI : 10.1016/S0039-6028(99)00668-8

G. Cohen and . Fiorentini, in low-energy collisions with antiprotons: Classical-trajectory Monte Carlo calculation, Physical Review A, vol.33, issue.3, p.1590, 1986.
DOI : 10.1103/PhysRevA.33.1590

B. H. Cooper and E. R. , Behringer Scattering and charge-transfer dynamics in low-and hyperthermalenergy alkali-ion-surface collisions, 1994.

S. A. Deutscher, X. Yang, and J. Burgdörfer, Accurate calculation of atomic resonances near surfaces, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.100, issue.2-3, p.336, 1995.
DOI : 10.1016/0168-583X(94)00850-7

S. A. Deutscher, X. Yang, and J. Burgdörfer, Atomic resonances of hydrogen near aluminum surfaces:mAdiabatic evolution of the ground state, Physical Review A, vol.55, issue.1, p.466, 1997.
DOI : 10.1103/PhysRevA.55.466

F. B. Dunning, H. R. Dunham, C. Oubre, and P. Nordlander, Behavior of Rydberg atoms at surfaces: energy level shifts and ionization, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.203, p.69, 2003.
DOI : 10.1016/S0168-583X(02)02176-6

R. L. Erikson and D. P. Smith, Oscillatory Cross Sections in Low-Energy Ion Scattering from Surfaces, Physical Review Letters, vol.34, issue.6, p.297, 1975.
DOI : 10.1103/PhysRevLett.34.297

V. A. Ermoshin and A. K. Kazansky, Wave packet study of H??? decay in front of a metal surface, Physics Letters A, vol.218, issue.1-2, p.99, 1996.
DOI : 10.1016/0375-9601(96)00381-7

J. W. Gadzuk, Theory of atom-metal interactions, Surface Science, vol.6, issue.2, p.133, 1967.
DOI : 10.1016/0039-6028(67)90001-5

J. W. Gadzuk, Theory of atom-metal interactions, Surface Science, vol.6, issue.2, p.159, 1967.
DOI : 10.1016/0039-6028(67)90002-7

J. P. Gauyacq and A. G. Borisov, Charge transfer in atom-surface collisions: effect of the presence of adsorbates on the surface, Journal of Physics: Condensed Matter, vol.10, issue.30, p.6585, 1998.
DOI : 10.1088/0953-8984/10/30/002

J. P. Gauyacq, A. G. Borisov, G. Ra¸seevra¸seev, and A. K. Kazansky, Long-lived adsorbate states on metal surfaces, Faraday Discussions, vol.117, p.15, 2000.
DOI : 10.1039/b002630l

J. J. Geerlings, L. F. Tz, J. Kwakman, and . Los, Local work function effects in the neutralization of alkali ions scattered from cesiated surfaces, Surface Science, vol.184, issue.3, p.305, 1987.
DOI : 10.1016/S0039-6028(87)80359-X

J. J. Geerlings, J. Los, J. P. Gauyacq, and N. M. Temme, Charge transfer in atom-surface collisions. On the validity of the semi-classical approximation, Surface Science, vol.172, issue.2, p.257, 1986.
DOI : 10.1016/0039-6028(86)90753-3

S. K. Gray and G. G. Balint-kurti, Quantum dynamics with real wave packets, including application to three-dimensional (J=0)D+H2???HD+H reactive scattering, The Journal of Chemical Physics, vol.108, issue.3, p.950, 1998.
DOI : 10.1063/1.475495

K. Griesen, F. Hage, F. J. Himpsel, H. J. Riess, and W. Steinmann, Hydrogenic image-potential states: A critical examination, Physical Review B, vol.33, issue.8, p.5241, 1986.
DOI : 10.1103/PhysRevB.33.5241

R. W. Gurney, Theory of Electrical Double Layers in Adsorbed Films, Physical Review, vol.47, issue.6, p.479, 1935.
DOI : 10.1103/PhysRev.47.479

H. D. Hagstrum, Auger Ejection of Electrons from Tungsten by Noble Gas Ions, Physical Review, vol.96, issue.2, p.325, 1954.
DOI : 10.1103/PhysRev.96.325

H. D. Hagstrum, Theory of Auger Ejection of Electrons from Metals by Ions, Physical Review, vol.96, issue.2, p.336, 1954.
DOI : 10.1103/PhysRev.96.336

H. D. Hagstrum, Excited-Atom Deexcitation Spectroscopy using Incident Ions, Physical Review Letters, vol.43, issue.14, p.1050, 1979.
DOI : 10.1103/PhysRevLett.43.1050

J. Hanssen, C. F. Martin, and P. Nordlander, Dynamics of Rydberg atoms near metal surfaces in the presence of an electric field, Surface Science, vol.423, issue.2-3, p.271, 1999.
DOI : 10.1016/S0039-6028(99)00006-0

Y. Harada, S. Masuda, and H. Ozaki, Electron Spectroscopy Using Metastable Atoms as Probes for Solid Surfaces, Chemical Reviews, vol.97, issue.6, p.1897, 1997.
DOI : 10.1021/cr940315v

D. A. Harmin, Analytical study of quasidiscrete Stark levels in Rydberg atoms, Physical Review A, vol.30, issue.5, p.2413, 1984.
DOI : 10.1103/PhysRevA.30.2413

A. U. Hazi and H. S. Taylor, Stabilization Method of Calculating Resonance Energies: Model Problem, Physical Review A, vol.1, issue.4, p.1109, 1970.
DOI : 10.1103/PhysRevA.1.1109

T. Hecht, H. Winter, A. G. Borisov, J. P. Gauyacq, and A. K. Kazansky, Role of the 2D Surface State Continuum and Projected Band Gap in Charge Transfer in Front of a Cu(111) Surface, Physical Review Letters, vol.84, issue.11, p.2517, 2000.
DOI : 10.1103/PhysRevLett.84.2517

B. Heinz and H. Morgner, Surface characterization by means of quantitative evaluation of MIES data, Journal of Electron Spectroscopy and Related Phenomena, vol.96, issue.1-3, p.83, 1998.
DOI : 10.1016/S0368-2048(98)00224-2

M. C. Heitz and H. D. Meyer, Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: A multiconfiguration time-dependent Hartree study on N2/LiF(001), The Journal of Chemical Physics, vol.114, issue.3, p.1382, 2001.
DOI : 10.1063/1.1332078

R. Hemmen and H. Conrad, New interpretation of Penning spectra from alkali-metal atoms chemisorbed on metal surfaces, Physical Review Letters, vol.67, issue.10, p.1314, 1991.
DOI : 10.1103/PhysRevLett.67.1314

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

S. B. Hill, C. B. Haich, Z. Zhou, P. Nordlander, and F. B. Dunning, Ionization of Xenon Rydberg Atoms at a Metal Surface, Physical Review Letters, vol.85, issue.25, p.5444, 2000.
DOI : 10.1103/PhysRevLett.85.5444

B. Hird, P. Gauthier, J. Bulicz, and R. A. Armstrong, Beam charge dependence of ion-surface scattering, Physical Review Letters, vol.67, issue.25, p.3575, 1991.
DOI : 10.1103/PhysRevLett.67.3575

C. C. Hsu, H. Bu, A. Bousetta, and J. W. Rabalais, (2??2)-O surface, Physical Review Letters, vol.69, issue.1, p.188, 1992.
DOI : 10.1103/PhysRevLett.69.188

H. Ishida, Theory of the alkali-metal chemisorption on metal surfaces, Physical Review B, vol.38, issue.12, p.8006, 1988.
DOI : 10.1103/PhysRevB.38.8006

J. Janev, Interaction of atomic particles with a solid surface. I. Resonance processes, Journal of Physics B: Atomic and Molecular Physics, vol.7, issue.12, p.1506, 1974.
DOI : 10.1088/0022-3700/7/12/011

R. Janev, Destruction of negative ions near solid state surfaces, Surface Science, vol.45, issue.2, p.609, 1974.
DOI : 10.1016/0039-6028(74)90192-7

P. J. Jennings, R. O. Jones, and M. Weinert, Surface barrier for electrons in metals, Physical Review B, vol.37, issue.11, p.6113, 1988.
DOI : 10.1103/PhysRevB.37.6113

L. Q. Jiang, Y. D. Li, and B. E. , scattered from alkali adsorbates on Ni(111), Physical Review Letters, vol.70, issue.17, p.2649, 1993.
DOI : 10.1103/PhysRevLett.70.2649

P. D. Johnson, A. J. Viescas, P. Nordlander, and J. C. Tully, Formation of excited hydrogen states in stimulated desorption from an alkali-promoted surface, Physical Review Letters, vol.64, issue.8, p.942, 1990.
DOI : 10.1103/PhysRevLett.64.942

M. Kato, D. J. O-'connor, K. Yamamoto, and R. Souda, Neutralization of a proton at adsorbate-covered metal surfaces, Surface Science, vol.363, issue.1-3, p.150, 1996.
DOI : 10.1016/0039-6028(96)00126-4

D. M. Kleinman and . Bylander, Efficacious Form for Model Pseudopotentials, Physical Review Letters, vol.48, issue.20, p.1425, 1982.
DOI : 10.1103/PhysRevLett.48.1425

G. A. Kimmel, D. M. Goodstein, Z. H. Levine, and B. H. Cooper, Local adsorbate-induced effects on dynamical charge transfer in ion-surface interactions, Physical Review B, vol.43, issue.12, p.9403, 1991.
DOI : 10.1103/PhysRevB.43.9403

S. Krischok, J. Günster, D. W. Goodman, O. Höfft, and V. , (110), Surface and Interface Analysis, vol.61, issue.1, pp.77-82, 2005.
DOI : 10.1002/sia.2013

J. A. Knapp, F. J. Himpsel, and D. E. Eastman, Experimental energy band dispersions and lifetimes for valence and conduction bands of copper using angle-resolved photoemission, Physical Review B, vol.19, issue.10, p.4952, 1979.
DOI : 10.1103/PhysRevB.19.4952

C. P. Koch, T. Klüner, and R. Kosloff, A complete quantum description of an ultrafast pump-probe charge transfer event in condensed phase, The Journal of Chemical Physics, vol.116, issue.18, p.7983, 2002.
DOI : 10.1063/1.1450124

C. P. Koch, J. P. Palao, R. Kosloff, and F. Masnou-seeuws, Stabilization of ultracold molecules using optimal control theory, Physical Review A, vol.70, issue.1, p.13402, 2004.
DOI : 10.1103/PhysRevA.70.013402

V. Kokoouline, O. Dulieu, R. Kosloff, and F. Masnou-seeuws, Mapped Fourier methods for long-range molecules: Application to perturbations in the Rb2(0u+) photoassociation spectrum, The Journal of Chemical Physics, vol.110, issue.20, p.9865, 1999.
DOI : 10.1063/1.478860

V. Kokoouline, O. Dulieu, R. Kosloff, and F. Masnou-seeuws, ultracold molecules: Determination of predissociation lifetimes with coordinate mapping, Physical Review A, vol.62, issue.3, p.32716, 2000.
DOI : 10.1103/PhysRevA.62.032716

D. Kosloff and R. Kosloff, A fourier method solution for the time dependent Schr??dinger equation as a tool in molecular dynamics, Journal of Computational Physics, vol.52, issue.1, p.35, 1983.
DOI : 10.1016/0021-9991(83)90015-3

R. Kosloff, Time-dependent quantum-mechanical methods for molecular dynamics, The Journal of Physical Chemistry, vol.92, issue.8, p.2087, 1988.
DOI : 10.1021/j100319a003

R. Kosloff and D. Kosloff, Absorbing boundaries for wave propagation problems, Journal of Computational Physics, vol.63, issue.2, p.363, 1986.
DOI : 10.1016/0021-9991(86)90199-3

P. Kürpick, U. Thumm, and U. Wille, Close-coupling calculations for ion-surface interactions, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.125, issue.1-4, p.273, 1997.
DOI : 10.1016/S0168-583X(96)00914-7

P. Kürpick, U. Thumm, and U. Wille, Resonance formation of hydrogenic levels in front of metal surfaces, Physical Review A, vol.56, issue.1, p.543, 1997.
DOI : 10.1103/PhysRevA.56.543

L. D. Landau and E. M. Lifshitz, Quantum mechanics. Non-relativistic theory, 1965.

D. Lang and A. R. Williams, Theory of atomic chemisorption on simple metals, Physical Review B, vol.18, issue.2, p.616, 1978.
DOI : 10.1103/PhysRevB.18.616

D. C. Langreth and P. Nordlander, Derivation of a master equation for charge-transfer processes in atom-surface collisions, Physical Review B, vol.43, issue.4, p.2541, 1991.
DOI : 10.1103/PhysRevB.43.2541

C. Leforestier, R. H. Bisseling, C. Cerjan, M. D. Fleit, R. Friesner et al., A comparison of different propagation schemes for the time dependent Schr??dinger equation, Journal of Computational Physics, vol.94, issue.1, p.59, 1991.
DOI : 10.1016/0021-9991(91)90137-A

M. Lein, E. K. Gross, and V. Engel, Intense-Field Double Ionization of Helium: Identifying the Mechanism, Physical Review Letters, vol.85, issue.22, p.4707, 2000.
DOI : 10.1103/PhysRevLett.85.4707

D. Lemoine and G. C. Corey, Close???coupled wave packet calculations of the scattering of oriented molecules from surfaces, The Journal of Chemical Physics, vol.94, issue.1, p.767, 1991.
DOI : 10.1063/1.460345

J. C. Light, I. P. Hamilton, and J. V. , Generalized discrete variable approximation in quantum mechanics, The Journal of Chemical Physics, vol.82, issue.3, p.1400, 1984.
DOI : 10.1063/1.448462

J. V. Lill, G. A. Parker, and J. C. Light, Discrete variable representations and sudden models in quantum scattering theory, Chemical Physics Letters, vol.89, issue.6, p.483, 1982.
DOI : 10.1016/0009-2614(82)83051-0

G. F. Liu, Z. Soubek, and J. A. Yarmoff, Detection of Quantum Confined States in Au Nanoclusters by Alkali Ion Scattering, Physical Review Letters, vol.92, issue.21, p.216801, 2004.
DOI : 10.1103/PhysRevLett.92.216801

N. Lorente and R. , Multielectron neutralization channels in ion-surface scattering, Physical Review B, vol.53, issue.15, p.9622, 1996.
DOI : 10.1103/PhysRevB.53.9622

URL : https://hal.archives-ouvertes.fr/hal-00102397

R. Lorente, Self-consistent LDA calculation in ion neutralization at metal surfaces, Surface Science, vol.370, issue.2-3, p.324, 1997.
DOI : 10.1016/S0039-6028(96)00964-8

URL : https://hal.archives-ouvertes.fr/hal-00102399

M. A. Lorente, J. P. Cazalilla, D. Gauyacq, P. M. Teillet-billy, and . Echenique, Auger neutralization and de-excitation of helium at an aluminium surface: a unified treatment, Surface Science, vol.411, issue.3, p.888, 1998.
DOI : 10.1016/S0039-6028(98)00407-5

J. Los and J. J. Geerlings, Charge exchange in atom-surface collisions, Physics Reports, vol.190, issue.3, p.133, 1990.
DOI : 10.1016/0370-1573(90)90104-A

Q. B. Lu, D. J. O-'connor, B. V. King, and R. J. Macdonald, Local electrostatic potential determination of surfaces by negative ion spectroscopy, Surface Science, vol.347, issue.3, p.61, 1996.
DOI : 10.1016/0039-6028(95)01039-4

H. Lüth, Surfaces and Interfaces of Solids, 1993.
DOI : 10.1007/978-3-662-10159-9

M. Maazouz, L. Guillemot, and V. A. Esaulov, Dynamical electron capture in the scattering of swift hydrogen ions on a Si surface, Physical Review B, vol.56, issue.15, p.9267, 1997.
DOI : 10.1103/PhysRevB.56.9267

D. A. Mccormack, G. Kroes, and D. Neuhauser, Resonance affected scattering: Comparison of two hybrid methods involving filter diagonalization and the Lanczos method, The Journal of Chemical Physics, vol.109, issue.13, p.5177, 1998.
DOI : 10.1063/1.477134

G. E. Makhmetov, A. G. Borisov, D. Teillet-billy, and J. P. Gauyacq, Singlet levels of an He atom interacting with an Al surface: Interaction between quasi stationary states in the n = 2???6 manifolds, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.100, issue.2-3, p.342, 1995.
DOI : 10.1016/0168-583X(94)00849-3

V. A. Mandelshtam and H. S. Taylor, Spectral Analysis of Time Correlation Function for a Dissipative Dynamical System Using Filter Diagonalization: Application to Calculation of Unimolecular Decay Rates, Physical Review Letters, vol.78, issue.17, p.3274, 1997.
DOI : 10.1103/PhysRevLett.78.3274

M. A. Marques, X. Lopez, D. Varsano, A. Castro, and A. Rubio, Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein, Physical Review Letters, vol.90, issue.25, p.258101, 2003.
DOI : 10.1103/PhysRevLett.90.258101

M. F. Martin and . Politis, Multicenter-Gaussian representation of resonant charge transfer in atom-surface interaction, Surface Science, vol.356, issue.1-3, p.247, 1996.
DOI : 10.1016/0039-6028(96)00014-3

J. B. Merino and . Marston, approach, Physical Review B, vol.58, issue.11, p.6982, 1998.
DOI : 10.1103/PhysRevB.58.6982

URL : https://hal.archives-ouvertes.fr/hal-00102401

Z. L. Miskovic, S. G. Davison, and F. O. Goodman, Stochastic Treatment of Adsorbate Local-Potential Effects on Surface-Ion Neutralization, Physical Review Letters, vol.71, issue.24, p.4075, 1993.
DOI : 10.1103/PhysRevLett.71.4075

F. Morisset, M. Aguillon, V. Sizun, and . Sidis, Quantum wavepacket investigation of Eley Rideal formation of H2 on a relaxing graphite surface, Chemical Physics Letters, vol.378, issue.5-6, p.615, 2003.
DOI : 10.1016/S0009-2614(03)01247-8

H. Müller, R. Hausmann, H. Brenten, and V. Kempter, Electrons from ultra- and interatomic Auger processes in low-energy grazing collisions of H+ and H+2 with W(110) partially covered by alkali atoms, Surface Science, vol.284, issue.1-2, p.129, 1993.
DOI : 10.1016/0039-6028(93)90531-N

M. V. Murty, Sputtering: the material erosion tool, Surface Science, vol.500, issue.1-3, p.523, 2002.
DOI : 10.1016/S0039-6028(01)01586-2

A. Nauts and R. E. Wayatt, New Approach to Many-State Quantum Dynamics: The Recursive-Residue-Generation Method, Physical Review Letters, vol.51, issue.25, p.2238, 1983.
DOI : 10.1103/PhysRevLett.51.2238

D. Neuhauser and M. Baer, The time???dependent Schr??dinger equation: Application of absorbing boundary conditions, The Journal of Chemical Physics, vol.90, issue.8, p.4351, 1989.
DOI : 10.1063/1.456646

D. M. Newns, Self-Consistent Model of Hydrogen Chemisorption, Physical Review, vol.178, issue.3, p.1123, 1969.
DOI : 10.1103/PhysRev.178.1123

A. Nourtier, Contribution to the theory of charge exchange at surfaces, Journal de Physique, vol.50, issue.3, p.311, 1989.
DOI : 10.1051/jphys:01989005003031100

URL : https://hal.archives-ouvertes.fr/jpa-00210920

D. Niemann, M. Grether, and M. Rösler, Ions Interacting with an Al Surface, Physical Review Letters, vol.80, issue.15, p.3328, 1998.
DOI : 10.1103/PhysRevLett.80.3328

E. E. Nikitin and S. V. Umanski, Theory of Slow Atomic Collisions, 1984.
DOI : 10.1007/978-3-642-82045-8

P. Nordlander and F. B. Dunning, Interaction of Rydberg atoms with a metal surface in the presence of an external electric field, Physical Review B, vol.53, issue.12, p.8083, 1996.
DOI : 10.1103/PhysRevB.53.8083

P. Nordlander and F. B. Dunning, Interaction of Rydberg atoms with surfaces: Electron tunneling processes, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.125, issue.1-4, p.300, 1997.
DOI : 10.1016/S0168-583X(96)00918-4

P. Nordlander and N. D. Lang, Energy shifts and broadening of atomic electron levels near impurity-covered metal surfaces, Physical Review B, vol.44, issue.24, p.13681, 1991.
DOI : 10.1103/PhysRevB.44.13681

P. Nordlander and J. C. Tully, Energy Shifts and Broadening of Excited Hydrogen-Atom Levels in the Vicinity of a Metal Surface, Physical Review Letters, vol.61, issue.8, p.990, 1988.
DOI : 10.1103/PhysRevLett.61.990

P. Nordlander and J. C. Tully, Energy shifts and broadening of atomic levels near metal surfaces, Physical Review B, vol.42, issue.9, p.5564, 1990.
DOI : 10.1103/PhysRevB.42.5564

R. E. Palmer, Electron-molecule dynamics at surfaces, Progress in Surface Science, vol.41, issue.1, p.51, 1992.
DOI : 10.1016/0079-6816(92)90010-F

M. C. Passeggi, E. C. Goldberg, and J. Ferrón, Charge transfer in secondary-ion emission: Tight-binding studies in Si and Si:O clusters, Physical Review B, vol.35, issue.16, p.8330, 1987.
DOI : 10.1103/PhysRevB.35.8330

W. H. Press, S. A. Tenkolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN, 1982.

M. Remy, Theory Concerning the Interaction of an Alkali Atom and a Metallic Surface, The Journal of Chemical Physics, vol.53, issue.6, p.2487, 1970.
DOI : 10.1063/1.1674351

U. V. Riss and H. D. Meyer, Investigation on the reflection and transmission properties of complex absorbing potentials, The Journal of Chemical Physics, vol.105, issue.4, p.1409, 1996.
DOI : 10.1063/1.472003

P. J. Rous, Controlling the Lifetime of Adsorbate Negative Ion States, Physical Review Letters, vol.83, issue.24, p.5086, 1999.
DOI : 10.1103/PhysRevLett.83.5086

P. J. Rous, Theory of negative ion formation at surfaces, Computer Physics Communications, vol.137, issue.1, p.33, 2001.
DOI : 10.1016/S0010-4655(01)00183-7

P. Saalfrank, Manipulation of adsorbates with electric fields, The Journal of Chemical Physics, vol.113, issue.9, p.3780, 2000.
DOI : 10.1063/1.1287656

H. Shao, D. C. Langreth, and P. , Nordlander, dans Low Energy Ion-Surface Interactions, p.118, 1994.

H. Shao, P. Nordlander, and D. C. Langreth, Probing the Highly Correlated Mixed-Valent State via Charge Transfer with Atoms Moving Out from a Surface, Physical Review Letters, vol.77, issue.5, p.948, 1996.
DOI : 10.1103/PhysRevLett.77.948

B. Simon, The bound state of weakly coupled Schr??dinger operators in one and two dimensions, Annals of Physics, vol.97, issue.2, p.279, 1976.
DOI : 10.1016/0003-4916(76)90038-5

J. Sjakste, A. G. Borisov, and J. P. Gauyacq, Wave packet propagation study of the electron transfer in back-scattering of H??? ions from alkali adsorbates on an Al surface, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.203, p.49, 2003.
DOI : 10.1016/S0168-583X(02)02173-0

J. Sjakste, A. G. Borisov, J. P. Gauyacq, and A. K. Kazansky, Analysis of the population of continuum states in wave packet propagation calculations, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.37, issue.8, p.1593, 2004.
DOI : 10.1088/0953-4075/37/8/003

URL : https://hal.archives-ouvertes.fr/hal-00019302

J. Sjakste, A. G. Borisov, and J. P. Gauyacq, Probing Adsorbate State Lifetime with Low Energy Ions, Physical Review Letters, vol.92, issue.15, p.156101, 2004.
DOI : 10.1103/PhysRevLett.92.156101

URL : https://hal.archives-ouvertes.fr/hal-00019748

R. Souda, Secondary ion emission from Ar, Kr, Xe, N2, O2, CO, and SF6 adsorbed on Pt(111): Relation between neutralization of sputtered ions and bond nature of adsorbates, The Journal of Chemical Physics, vol.114, issue.4, p.1823, 2001.
DOI : 10.1063/1.1332790

J. P. Taylor, Scattering Theory, 1983.
DOI : 10.1007/978-3-642-21195-9_2

R. Tal-ezer and . Kosloff, An accurate and efficient scheme for propagating the time dependent Schr??dinger equation, The Journal of Chemical Physics, vol.81, issue.9, p.3967, 1984.
DOI : 10.1063/1.448136

D. Teillet-billy and J. P. Gauyacq, Position and width of a negative ion state in front of a surface: formation of C???(4S) ions by electron capture, Surface Science, vol.239, issue.3, p.343, 1990.
DOI : 10.1016/0039-6028(90)90234-Y

J. C. Tully, Neutralization of ions at surfaces, Physical Review B, vol.16, issue.10, p.4324, 1977.
DOI : 10.1103/PhysRevB.16.4324

J. N. Van-wunnik, R. Brako, K. Makoshi, and D. M. Newns, Effect of parallel velocity on charge fraction in ion-surface scattering, Surface Science, vol.126, issue.1-3, p.618, 1983.
DOI : 10.1016/0039-6028(83)90766-5

C. B. Weare and J. A. Yarmoff, Resonant neutralization of 7Li+ scattered from alkali/Al(100) as a probe of the local electrostatic potential, Surface Science, vol.348, issue.3, p.359, 1996.
DOI : 10.1016/0039-6028(95)01013-0

S. Wethekam, A. Mertens, and H. Winter, Ions during Grazing Scattering from a Ag(111) Surface, Physical Review Letters, vol.90, issue.3, p.37602, 2003.
DOI : 10.1103/PhysRevLett.90.037602

U. Wille, Resonant electron transfer at metal surfaces: Theoretical analysis of scaling properties and universal behavior, Physical Review B, vol.50, issue.3, p.1888, 1994.
DOI : 10.1103/PhysRevB.50.1888

H. Winter, Collisions of atoms and ions with surfaces under grazing incidence, Physics Reports, vol.367, issue.5, p.387, 2002.
DOI : 10.1016/S0370-1573(02)00010-8

J. P. Witte and . Toennies, Phonons in a quasi-two-dimensional solid: Cesium monolayer on Cu(001), Physical Review B, vol.62, issue.12, p.7771, 2000.
DOI : 10.1103/PhysRevB.62.R7771

B. Woratshek, W. Sesselman, J. Küppers, G. Ertl, and H. Haberland, Singlet to Triplet Conversion of Metastable He Atoms during Deexcitation at a Cs-Covered Surface, Physical Review Letters, vol.55, issue.6, p.611, 1985.
DOI : 10.1103/PhysRevLett.55.611

F. Wyputta, R. Zimny, and H. Winter, H??? formation in grazing collisions of fast protons with an Al(111) surface, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.58, issue.3-4, p.379, 1991.
DOI : 10.1016/0168-583X(91)95872-B

J. A. Yarmoff and Y. Yang, Imaging the Internal Electronic Structure of a Surface Adsorbate with Low Energy Ions, Physical Review Letters, vol.91, issue.8, p.86104, 2003.
DOI : 10.1103/PhysRevLett.91.086104

M. L. Yu, Work-Function Dependence of Negative-Ion Production during Sputtering, Physical Review Letters, vol.40, issue.9, p.574, 1978.
DOI : 10.1103/PhysRevLett.40.574

M. L. Yu, Velocity Dependence of the Ionization Probability of Sputtered Atoms, Physical Review Letters, vol.47, issue.18, p.1325, 1981.
DOI : 10.1103/PhysRevLett.47.1325

A. Zartner, E. Taglauer, and W. Heiland, Scattered from Atomic and Solid Pb Targets, Physical Review Letters, vol.40, issue.19, p.1259, 1978.
DOI : 10.1103/PhysRevLett.40.1259

J. F. Ziegler, J. P. Biersack, and U. Littmark, The Stopping and Range of Ions in Matter Pergamon, 1985.

R. Zimny, Z. L. Mi?kovi´cmi?kovi´c, N. N. Nedeljkovi´cnedeljkovi´c, and L. D. Nedeljkovi´cnedeljkovi´c, Interplay of resonant and Auger processes in proton neutralization after grazing surface scattering, Surface Science, vol.255, issue.1-2, p.135, 1991.
DOI : 10.1016/0039-6028(91)90017-M

R. Zimny, Study of H??? formation in grazing surface collisions, Surface Science, vol.292, issue.3, p.325, 1993.
DOI : 10.1016/0039-6028(93)90338-K