Exploring the importance of quantum effects in nucleation : The archetypical Ne n case, Liste des publications ,
Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach, The Journal of Chemical Physics, vol.137, issue.5 ,
DOI : 10.1063/1.4739754
URL : https://hal.archives-ouvertes.fr/hal-00933153
Femtochemistry : atomic-scale dynamics of the chemical bond, The Journal of Physical Chemistry A, vol.104, issue.24, pp.5660-5694, 2000. ,
Clusters and small particles in gases and plasmas, 1999. ,
Clusters of atoms and molecules, theory, experiment and clusters of atoms. Springer series in chemical physics, 1994. ,
Superfluidity Within a Small Helium-4 Cluster: The Microscopic Andronikashvili Experiment, Science, vol.279, issue.5359, pp.2792083-2086, 1998. ,
DOI : 10.1126/science.279.5359.2083
The physics of simple metal clusters : experimental aspects and simple models, Rev. Mod. Phys, vol.65, pp.611-676, 1993. ,
Atomic cluster physics : new challenges for theory and experiment. Chaos, Solitons and Fractals TRANSFINITE PHYSICS Treading the Path of Cantor and Einstein A collection of papers in honour of the Egyptian Engineering Scientist, pp.835-843, 2005. ,
Physical cluster mechanics : Statics and energy surfaces for monatomic systems Advances in Physics, pp.161-196, 1971. ,
Cluster growing process and a sequence of magic numbers, Phys. Rev. Lett, vol.90, p.53401, 2003. ,
Atomic and Molecular Clusters, 2002. ,
Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures, Physical Chemistry Chemical Physics, vol.121, issue.43, pp.10122-1013110, 1039. ,
DOI : 10.1039/b910200k
Formation and destruction of polycyclic aromatic hydrocarbon
clusters in the interstellar medium, Astronomy and Astrophysics, vol.460, issue.2, pp.519-531, 2006. ,
DOI : 10.1051/0004-6361:20065412
Nanoshell-mediated nearinfrared thermal therapy of tumors under magnetic resonance guidance, Proceedings of the National Academy of Sciences, vol.100, issue.23, pp.13549-13554, 2003. ,
Reversible Photochemical Processes in Rigid Media. A Study of the Phosphorescent State, Journal of the American Chemical Society, vol.63, issue.11, pp.3005-3018, 1941. ,
DOI : 10.1021/ja01856a043
Matrix Isolation Method for the Experimental Study of Unstable Species, The Journal of Chemical Physics, vol.22, issue.11, pp.1943-1943, 1954. ,
DOI : 10.1063/1.1739957
An Undulatory Theory of the Mechanics of Atoms and Molecules, Physical Review, vol.28, issue.6, pp.1049-1070, 1926. ,
DOI : 10.1103/PhysRev.28.1049
Numerical Grid Methods and Their Ampplication to Schrödinger's Equation, NATO ASI Series. Kluwer, 1993. ,
Time-dependent quantum-mechanical methods for molecular dynamics, The Journal of Physical Chemistry, vol.92, issue.8, pp.2087-2100, 1988. ,
DOI : 10.1021/j100319a003
Solution of the Schrödinger equation by a spectral method, Journal of Computational Physics, vol.4782, issue.3, pp.412-43310, 1982. ,
A comparison of different propagation schemes for the time dependent Schr??dinger equation, Journal of Computational Physics, vol.94, issue.1, pp.59-8010, 1991. ,
DOI : 10.1016/0021-9991(91)90137-A
Inhomogeneous Electron Gas, Physical Review, vol.136, issue.3B, pp.864-871, 1964. ,
DOI : 10.1103/PhysRev.136.B864
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.140, issue.4A, pp.1133-1138, 1965. ,
DOI : 10.1103/PhysRev.140.A1133
Density Functional Theory, NATO ASI Series. Kluwer, vol.337, 1995. ,
DOI : 10.1007/978-1-4757-9975-0
URL : https://hal.archives-ouvertes.fr/jpa-00211085
Systematics of liquid helium clusters, The Journal of Chemical Physics, vol.87, issue.8, pp.5021-5027, 1987. ,
DOI : 10.1063/1.452818
URL : https://hal.archives-ouvertes.fr/in2p3-00005945
nanodroplets, Physical Review B, vol.77, issue.2, p.24513, 2008. ,
DOI : 10.1103/PhysRevB.77.024513
URL : https://hal.archives-ouvertes.fr/hal-01306645
Dynamics of liquid 4 He in confined geometries from time-dependent density functional calculations, Phys. Rev. B, vol.67, 2003. ,
Pickup and Photodissociation of Hydrogen Halides in Floppy Neon Clusters, The Journal of Physical Chemistry A, vol.107, issue.39, pp.7743-7754, 2003. ,
DOI : 10.1021/jp0357525
Simulations of quantum crystals by classical dynamics, The Journal of Chemical Physics, vol.103, issue.13, pp.5679-5683, 1995. ,
DOI : 10.1063/1.470550
Fragmentation of ionized doped helium nanodroplets: Theoretical evidence for a dopant ejection mechanism, The Journal of Chemical Physics, vol.128, issue.5, p.54302, 2008. ,
DOI : 10.1063/1.2823101
URL : https://hal.archives-ouvertes.fr/hal-00949096
The MCTDH Package, Version 8, 2000. ,
Semiclassical molecular dynamics for strongly coupled Coulomb systems, The Journal of Chemical Physics, vol.101, issue.12, pp.10766-10774, 1994. ,
DOI : 10.1063/1.467889
Wave packet molecular dynamics to study atom electrons in strong fields. Nuclear Instruments and Methods in Physics Research Section A : Accelerators, Spectrometers, Detectors and Associated Equipment, Proceedings of the 16th International Symposium on Heavy Ion Inertial Fusion, pp.343-348, 2007. ,
Gaussian-based techniques for quantum propagation from the time-dependent variational principle : Formulation in terms of trajectories of coupled classical and quantum variables, The Journal of Chemical Physics, vol.129, issue.8, p.84104, 2008. ,
Note on Exchange Phenomena in the Thomas Atom, Proc.Cambridge Philos.Soc, 1930. ,
DOI : 10.1017/S0305004100016108
A variational solution of the time-dependent Schrodinger equation, Molecular Physics, vol.8, issue.1, pp.39-44, 1964. ,
DOI : 10.1080/00268976000100481
Semiclassical gaussian basis set method for molecular vibrational wave functions, The Journal of Chemical Physics, vol.71, issue.8, pp.3383-339510, 1979. ,
Frozen Gaussians: A very simple semiclassical approximation, The Journal of Chemical Physics, vol.75, issue.6, pp.2923-2931, 1981. ,
DOI : 10.1063/1.442382
???matrix limit of wave packet dynamics, The Journal of Chemical Physics, vol.65, issue.11, pp.4979-4989, 1976. ,
DOI : 10.1063/1.432974
Exact time-dependent wave packet propagation : Application to the photodissociation of methyl iodide, The Journal of Chemical Physics, vol.76, issue.6, pp.3035-3044, 1982. ,
Time???dependent approach to semiclassical dynamics, The Journal of Chemical Physics, vol.62, issue.4, pp.1544-1555, 1975. ,
DOI : 10.1063/1.430620
A direct relaxation method for calculating eigenfunctions and eigenvalues of the schr??dinger equation on a grid, Chemical Physics Letters, vol.127, issue.3, pp.223-23010, 1986. ,
DOI : 10.1016/0009-2614(86)80262-7
The multi-configurational time-dependent Hartree approach, Chemical Physics Letters, vol.165, issue.1, pp.73-7810, 1990. ,
DOI : 10.1016/0009-2614(90)87014-I
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets, Physics Reports, vol.324, issue.1, pp.1-105, 2000. ,
DOI : 10.1016/S0370-1573(99)00047-2
Wave???packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl, The Journal of Chemical Physics, vol.97, issue.5, pp.3199-321310, 1992. ,
DOI : 10.1063/1.463007
Time???dependent self???consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments, The Journal of Chemical Physics, vol.87, issue.10, pp.5781-5787, 1987. ,
DOI : 10.1063/1.453501
Quantum mechanical reactive scattering by a multiconfigurational time-dependent self-consistent field (MCTDSCF) approach, Chemical Physics Letters, vol.171, issue.1-2, pp.97-10810, 1990. ,
DOI : 10.1016/0009-2614(90)80057-K
Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method, The Journal of Chemical Physics, vol.111, issue.7, pp.2927-2939, 1999. ,
DOI : 10.1063/1.479574
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets, Faraday Discussions, vol.127, pp.307-32310, 2004. ,
DOI : 10.1039/b314253a
Correlated multielectron systems in strong laser fields: A multiconfiguration time-dependent Hartree-Fock approach, Physical Review A, vol.71, issue.1, p.12712, 2005. ,
DOI : 10.1103/PhysRevA.71.012712
Testing the multi-configuration time-dependent Hartree???Fock method, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.37, issue.4 ,
DOI : 10.1088/0953-4075/37/4/004
Multiconfigurational time-dependent Hartree method for bosons : Many-body dynamics of bosonic systems, Phys. Rev. A, vol.77, p.33613, 2008. ,
Role of excited states in the splitting of a trapped interacting Bose-Einstein condensate by a time-dependent barrier, Phys. Rev. Lett, vol.99, p.30402, 2007. ,
Unified view on multiconfigurational time propagation for systems consisting of identical particles, The Journal of Chemical Physics, vol.127, issue.15, p.154103, 2007. ,
The time-dependent variational principle (TDVP), Lecture Notes in Physics, vol.140, pp.3-14, 1007. ,
DOI : 10.1007/3-540-10579-4_20
On the equivalence of time-dependent variational principles, Chemical Physics Letters, vol.149, issue.5-6, pp.5-6, 1988. ,
DOI : 10.1016/0009-2614(88)80380-4
Absolute classical densities of states for very anharmonic systems and applications to the evaporation of rare gas clusters, The Journal of Chemical Physics, vol.98, issue.6, pp.4967-4983, 1993. ,
DOI : 10.1063/1.464952
Statistical anharmonic unimolecular rate constants for the dissociation of fluxional molecules : Application to aluminum clusters, The Journal of Chemical Physics, vol.105, issue.17, pp.7432-7447, 1996. ,
The ne-ne interatomic potential revisited Available from : http://www.sciencedirect.com/science, Chemical Physics, vol.13089, issue.13, pp.187-19410, 1989. ,
Quantum statistical mechanics with gaussians : Equilibrium properties of van der Waals clusters, The Journal of Chemical Physics, vol.121, issue.19, pp.9247-9256, 2004. ,
An efficient microcanonical sampling method, Chemical Physics Letters, vol.57, issue.1, pp.117-12010, 1978. ,
DOI : 10.1016/0009-2614(78)80363-7
Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics, The Journal of Chemical Physics, vol.131, issue.12 ,
DOI : 10.1063/1.3239476
On possible simplifications in the theoretical description of gas phase atomic cluster dissociation, The Journal of Chemical Physics, vol.130, issue.8, p.84108, 2009. ,
DOI : 10.1063/1.3078449
Fitting classical microcanonical unimolecular rate constants to a modified RRK expression: Anharmonic and variational effects, The Journal of Chemical Physics, vol.110, issue.13, pp.6198-6207, 1999. ,
DOI : 10.1063/1.478525
Introduction to quantum mechanics : a time-dependent perspective, 2007. ,
Molecular Photodynamics in Rare Gas Solids, Chemical Reviews, vol.99, issue.6, pp.1481-1514, 1999. ,
DOI : 10.1021/cr9404609
Rydberg fluorescence of NO trapped in rare gas matrices, The Journal of Chemical Physics, vol.89, issue.3, pp.1277-1284, 1988. ,
DOI : 10.1063/1.455180
Femtosecond dynamics of electronic `bubbles' in solid argon: viewing the inertial response and the bath coherences, Chemical Physics Letters, vol.316, issue.1-2, pp.51-59, 2000. ,
DOI : 10.1016/S0009-2614(99)01276-2
Lineshape analysis of impurity Rydberg transitions in van der Waals solids : derivation of intermolecular po- tentials, Chemical Physics Letters, vol.296, pp.3-4316, 1998. ,
Erratum to ???Lineshape analysis of impurity Rydberg transitions in van der Waals solids: Derivation of intermolecular potentials???, Chemical Physics Letters, vol.305, issue.1-2, pp.316-322187, 1998. ,
DOI : 10.1016/S0009-2614(99)00386-3
Quantum Molecular Dynamics of Ultrafast Processes in Large Polyatomic Systems, Chemical Reviews, vol.99, issue.6, pp.1583-1606, 1999. ,
DOI : 10.1021/cr9800210
Selective energy and phase transfer in the photodissociation of I2 in argon clusters: Quantum dynamics simulations, Chemical Physics Letters, vol.431, issue.1-3, pp.199-203, 2006. ,
DOI : 10.1016/j.cplett.2006.09.063
Photodissociation and recombination of F2 molecule in Ar54 cluster: Nonadiabatic molecular dynamics simulations, The Journal of Chemical Physics, vol.113, issue.16, pp.6660-6672, 2000. ,
DOI : 10.1063/1.1310598
A reflection principle for the control of molecular photodissociation in solids: model simulation for F2 in Ar, Chemical Physics Letters, vol.327, issue.1-2, pp.76-8410, 2000. ,
DOI : 10.1016/S0009-2614(00)00799-5
Cage motions induced by electronic and vibrational excitations: Cl2 in Ar, The Journal of Chemical Physics, vol.124, issue.2, p.24505, 2006. ,
DOI : 10.1063/1.2147241
vibrational wave packets in solid Ar, Journal of Physics B: Atomic, Molecular and Optical Physics, vol.41, issue.7, p.41074013, 2008. ,
DOI : 10.1088/0953-4075/41/7/074013
Dynamics of structural relaxation upon Rydberg excitation of an impurity in an Ar crystal, Chemical Physics, vol.233, issue.2-3, pp.2-3343, 1998. ,
DOI : 10.1016/S0301-0104(98)00154-2
The medium response to an impulsive redistribution of charge in solid argon: Molecular dynamics simulations and normal mode analysis, The Journal of Chemical Physics, vol.114, issue.12, pp.5264-5272, 2001. ,
DOI : 10.1063/1.1352077
Ultrafast expansion and vibrational coherences of electronic `Bubbles' in solid neon, Chemical Physics Letters, vol.362, issue.1-2, pp.31-3810, 2002. ,
DOI : 10.1016/S0009-2614(02)01022-9
Ultrafast structural dynamics in electronically excited solid neon. I.???Real-time probing of the electronic bubble formation, Physical Review B, vol.67, issue.11, p.115118, 2003. ,
DOI : 10.1103/PhysRevB.67.115118
An effective temperature approach for molecular dynamics simulations of quantum solids, Chemical Physics Letters, vol.429, pp.4-6450, 2006. ,
Response of solid Ne upon photoexcitation of a NO impurity : A quantum dynamics study, The Journal of Chemical Physics, vol.135, issue.16, p.164504, 2011. ,
Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach, Chemical Physics Letters, vol.543, issue.0, pp.12-18, 2012. ,
DOI : 10.1016/j.cplett.2012.05.032
Femtosecond transition state spectroscopy of solids: electronic ???bubble??? formation in solid hydrogen, Chemical Physics Letters, vol.279, issue.1-2, pp.65-7210, 1997. ,
DOI : 10.1016/S0009-2614(97)01105-6
Structural dynamics in quantum solids. I. Steady-state spectroscopy of the electronic bubble in solid hydrogens, The Journal of Chemical Physics, vol.116, issue.11, pp.4542-455210, 2002. ,
DOI : 10.1063/1.1449945
Structural dynamics in quantum solids. II. Real-time probing of the electronic bubble formation in solid hydrogens, The Journal of Chemical Physics, vol.116, issue.11, pp.4553-456210, 2002. ,
DOI : 10.1063/1.1449946
The ultrafast structural response of solid parahydrogen: A complementary experimental/simulation investigation, The Journal of Chemical Physics, vol.125, issue.5, p.54507, 2006. ,
DOI : 10.1063/1.2217736
Dynamics of Electronic ???Bubble??? Formation in Solid Hydrogen: A Classical Model Calculation based on Fluid Dynamics, Physical Review Letters, vol.83, issue.12, pp.2355-2358, 1999. ,
DOI : 10.1103/PhysRevLett.83.2355
Absorption and emission lineshapes and ultrafast solvation dynamics of NO in parahydrogen, The Journal of Chemical Physics, vol.128, issue.24, p.244502, 2008. ,
DOI : 10.1063/1.2943316
Investigation of the angle dependent part of the intermolecular potential of NO???inert gas systems using crossed molecular beams, Chemical Physics, vol.43, issue.3, pp.351-364, 1979. ,
DOI : 10.1016/0301-0104(79)85203-9
Anharmonic phonon energies in rare-gas solids derived by path-integral simulations, Physical Review B, vol.72, issue.2, p.24303, 2005. ,
DOI : 10.1103/PhysRevB.72.024303
Photodissociation Dynamics, 1993. ,
Advances in Chemical Physics Time-resolved photoelectron spectroscopy of molecular dissociation : Classical trajectory versus quantum wavepacket calculations, Phys. Chem. Chem. Phys, vol.100, issue.4, pp.5014-5019, 1997. ,
Dynamics of ion?molecule recombination. V. A study of energy transfer pathways, The Journal of Chemical Physics, vol.96, issue.11, pp.8295-8306, 1992. ,
Dynamics of ethyl radical decomposition . II. Applicability of classical mechanics to large-molecule unimolecular reaction dynamics, Journal of Computational Chemistry, vol.3, issue.3, pp.335-343, 1982. ,
Energy dependent decay rates of Lennard-Jones clusters for use in nucleation theory, The Journal of Chemical Physics, vol.126, issue.7, p.74312, 2007. ,
DOI : 10.1063/1.2698424
Thermodynamic properties of ammonia clusters (NH3)n n=2???11: Comparing classical and quantum simulation results for hydrogen bonded species, The Journal of Chemical Physics, vol.131, issue.3, p.34312, 2009. ,
DOI : 10.1063/1.3159398
??=??2???5): Isotope effects on the ground state of typical hydrogen bonded systems, The Journal of Chemical Physics, vol.133, issue.21 ,
DOI : 10.1063/1.3506027
Manipulating and enhancing chemical reactions in helium droplets, The Journal of Chemical Physics, vol.112, issue.19, pp.8217-822010, 2000. ,
DOI : 10.1063/1.481426
The rotational structure of molecules in the quantum 4 He and 3 He liquids, 1999. ,
in Liquid Helium Droplets, Physical Review Letters, vol.93, issue.25, p.253401, 2004. ,
DOI : 10.1103/PhysRevLett.93.253401
Electron impact ionization in helium nanodroplets : Controlling fragmentation by active cooling of molecular ions, Journal of the American Chemical Society, vol.126, issue.36, pp.11283-11292, 2004. ,
Quantum solvation and molecular rotations in superfluid helium clusters, The Journal of Chemical Physics, vol.113, issue.16, pp.6469-6501, 2000. ,
DOI : 10.1063/1.1310608
Quantum Interference Spectroscopy of Rubidium-Helium Exciplexes Formed on Helium Nanodroplets, Physical Review Letters, vol.100, issue.2, p.23401, 2008. ,
DOI : 10.1103/PhysRevLett.100.023401
Ions in Liquid Helium, Physical Review, vol.116, issue.6, pp.1339-1343, 1959. ,
DOI : 10.1103/PhysRev.116.1339
Cs atoms on helium nanodroplets and the immersion of Cs + into the nanodroplet, The Journal of Chemical Physics, vol.13511, issue.3, pp.74306-54, 2011. ,