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End date: 2024 × Start date: 2020 × DDC: 530 × Subject: Quantum chemistry × WGL Institute: MBI ×

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Now showing 1 - 3 of 3
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    Signatures of Light-Induced Potential Energy Surfaces in H2+
    (Bristol : IOP Publ., 2020) Kübel, M.; Spanner, M.; Dube, Z.; Naumov, A. Yu; Vrakking, M.J.J.; Corkum, P.B.; Villeneuve, D.M.; Staudte, A.
    Using theory and Cold Target Recoil Ion Momentum Spectroscopy we find signatures of light-induced molecular potential energy surfaces in the 3-dimensional proton momentum distributions of dissociating H+2. © 2020 Journal of Physics: Conference Series. All rights reserved.
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    General Time-Dependent Configuration-Interaction Singles II: The Atomic Case
    (Woodbury, NY : Inst., 2022-10-10) Carlström, Stefanos; Bertolino, Mattias; Dahlström, Jan Marcus; Patchkovskii, Serguei
    We present a specialization of the grid-based implementation of the time-dependent configuration-interaction singles described in the preceding paper [S. Carlström et al., preceding paper, Phys. Rev. A 106, 043104 (2022)]. to the case of spherical symmetry. We describe the intricate time propagator in detail and conclude with a few example calculations. Among these, of note are high-resolution photoelectron spectra in the vicinity of the Fano resonances in photoionization of neon and spin-polarized photoelectrons from xenon, in agreement with recent experiments.
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    General Time-Dependent Configuration-Interaction Singles I: The Molecular Case
    (Woodbury, NY : Inst., 2022-10-10) Carlström, Stefanos; Spanner, Michael; Patchkovskii, Serguei
    We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of He, LiH, H2O, and C2H4 that demonstrate the utility of our implementation. The following paper [S. Carlström et al., following paper, Phys. Rev. A 106, 042806 (2022)] specializes to the case of spherical symmetry, which is applied to various atoms.