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<https://discovery.ucl.ac.uk/id/eprint/10203875> <http://purl.org/dc/terms/title> "Interaction of XUV and X-ray pulses\r\nwith diatomic molecules"^^<http://www.w3.org/2001/XMLSchema#string> .
<https://discovery.ucl.ac.uk/id/eprint/10203875> <http://purl.org/ontology/bibo/abstract> "In this thesis, we study theoretically the angular distributions of electron escape\r\nand the process of molecular dissociation during the interaction between diatomic\r\nmolecules and intense laser pulses in the ultraviolet and X-ray range. We start by\r\ndemonstrating theoretically a one-to-one mapping between the direction of electron\r\nionization and the phase delay between a linearly-polarized vacuum ultraviolet and\r\na circularly-polarized infrared laser pulse for the N2 molecule. We compute the\r\ndipole matrix element to transition from an initial bound state to the continuum using quantum mechanical techniques.\r\n\r\nFollowing the release of the electron in the\r\ninfrared pulse, we evolve classical trajectories. Neglecting the Coulomb potential\r\nand accounting for quantum interference, we compute the distribution of the direction and magnitude of the final electron momentum. We then streak single-photon\r\nionization processes, driven by an X-ray pulse, in open-shell molecules. We obtain\r\ncontinuum molecular wavefunctions while accounting for the singlet or triplet total\r\nspin symmetry of the molecular ion. After ionization, we streak the electron dynamics using a circular infrared pulse. For a high intensity infrared pulse, we achieve\r\ncontrol of the angle of escape of the ionizing electron. For a low intensity infrared\r\npulse, we obtain final electron momenta distributions on the plane of the infrared\r\npulse and compare them to the angular patterns of electron escape solely due to the\r\nX-ray pulse. Finally, we study the interaction between molecular oxygen, O2, and\r\nan extreme ultraviolet pulse. We compute potential energy curves of O2 up to O2+\r\n2\r\n.\r\nWe find the dissociation limits of these states and the atomic fragments to which\r\nthey dissociate. We use the Velocity Verlet algorithm to account for the nuclear\r\ndynamics.\r\n\r\n\r\nUsing Monte Carlo simulations which monitor the nuclear motion and electronic structure of the molecule, we obtain kinetic energy release distributions\r\nof the atomic fragments of O2."^^<http://www.w3.org/2001/XMLSchema#string> .
<https://discovery.ucl.ac.uk/id/eprint/10203875> <http://purl.org/dc/terms/date> "2025-01-28" .
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