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Ultrafast Charge Transfer in ion-atom collision investigated by Molecular Quantum Dynamics Methods


"The aim of the proposed project is to complete, maximize and enhance the scientific and management competencies gained by the applicant during the previous MC Fellowship, which she performed in Germany. The experience and complementary skills gained during the Fellowship are crucial for establishing herself as an independent scientist in the field of the ultrafast dynamics. The financial contribution of the European Reintegration Grant will support a young researcher with her effort to set up her own research group in Poland.The DYNAMICOL project is devoted to the study of the dynamics of charge transfer (CT) processes taking place in a collision in the femto and attosecond time scales. The development of the ultrashort pulses produced by free-electron lasers and high harmonic generation has opened up the way to a new chemistry showing enormous possibility to observe the nuclear and electron motion in realm time. However, the dynamics of CT in the eV range of energy has been only scarcely investigated. DYNAMICOL aims at analyzing the mechanism of CT during an ion-atom collisions. Novel time-dependent wave packet propagation methods developed by the applicant to follow the attosecond nuclear motion involved in the collision at low energies will be applied. The methodology will be applied to the interactions between carbon ions, Cq+ (q=2,3,4,6), with H/He atoms. Firstly, to study the molecular structure of the systems, detailed knowledge of the potentials energies and non-adiabatic couplings between the states involved in the process will be obtained by using high level ab initio methods. Secondly, the dynamics of the process in ultrafast domain will be studied by the nuclear wave packet propagation methods. The simulations will be performed, as a first step in 1D, and second, in 2D. Combining these two possibilities, we will obtain anisotropic features of the global 3D collision process at low-energies, directly comparable with experiments."

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Ul. Gabriela Narutowicza 11/12
80-233 Gdansk

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Activity type
Higher or Secondary Education Establishments
Administrative Contact
Jozef Sienkiewicz (Prof.)
EU contribution
€ 30 000