Photodissociation Cell survival Ion transport theory Molecular dynamics Structure optimization Dynamique non-adiabatique Ion-solid interaction Track-structure model Molecular dissociation Métaux alcalins Dynamique moléculaire Chimie quantique Ab-initio calculation Quantum chemistry Pseudopotentiel Simulations Solid rare gaz Non-adiabatic dynamic Néon High-LET ions Optimisation des structures Spectroscopy absorption High LET Gaz rares solides Theory Molecular dynamic Non radiative transition Structure Optimization Alkali Méthode ab-initio chimie quantique Water radiolysis Ab-initio method Metalic cluster Ions Pseudopotential Méthode ab-initio Spectroscopie d'absorption Simulation Absorption spectroscopy Track-structure models Agrégats métalliques Transitions non radiatives X-ray spectroscopy