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  1. Article

    Open Access

    Dipole instability in molecules irradiated by XUV pulses

    We study the response of small covalent molecules to XUV laser pulses. The theoretical description relies on a real-time and real-space Time-Dependent Density Functional Theory (TDDFT) approach at the level of...

    D. Hughes, D. Dundas, P. M. Dinh, M. Vincendon… in The European Physical Journal D (2023)

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  2. No Access

    Article

    On the stability of hole states in molecules and clusters

    Recent investigations of the electron dynamics of molecules after irradiation with a short, strong XUV pulse have shown that under certain conditions, a rather clean deep hole state can be generated which, in ...

    P.-G. Reinhard, P. M. Dinh, D. Dundas… in The European Physical Journal Special Topi… (2023)

  3. No Access

    Article

    Modelling non-adiabatic processes using correlated electron-ion dynamics

    Here we survey the theory and applications of a family of methods (correlated electron-ion dynamics, or CEID) that can be applied to a diverse range of problems involving the non-adiabatic exchange of energy ...

    E. J. McEniry, Y. Wang, D. Dundas, T. N. Todorov… in The European Physical Journal B (2010)

  4. No Access

    Article

    Laser-driven helium at 780 nm

    We briefly review the methods under development at Queen’s University Belfast to solve the full-dimensionality time-dependent Schrödinger equation for helium in intense laser fields. We set out the computation...

    K. T. Taylor, J. S. Parker, K. J. Meharg… in The European Physical Journal D - Atomic, … (2003)

  5. No Access

    Article

    Dissociative ionization of molecules in intense laser fields

    Accurate and efficient grid based techniques for the solution of the time-dependent Schrödinger equation for few-electron diatomic molecules irradiated by intense, ultrashort laser pulses are described. These ...

    D. Dundas, K. J. Meharg, J. F. McCann… in The European Physical Journal D - Atomic, … (2003)

  6. No Access

    Chapter

    Numerical Grid Methods

    Over recent years in Belfast we have developed numerical grid methods for solving the two-electron time-dependent Schrödinger equation (TDSE) in its full-dimensionality 1–4]. We have specifically had in mind d...

    K. T. Taylor, J. S. Parker, D. Dundas… in Many-Particle Quantum Dynamics in Atomic a… (2003)

  7. No Access

    Chapter

    Multiphoton Processes in a Two-Electron Atom Using a Cray T3D

    Many-electron atoms interacting with intense coherent radiation presents many new challenges for the theorist. Theory was stimulated enormously in recent years by the discovery of high harmonic generation in c...

    K. T. Taylor, J. S. Parker, D. Dundas… in Photon and Electron Collisions with Atoms … (1997)