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Atomic and molecular suite of R-matrix codes for ultrafast dynamics in strong laser fields and electron/positron scattering

2020, Wragg, J., Benda, J., Mašín, Z., Armstrong, G.S.J., Clarke, D.D.A., Brown, A.C., Ballance, C., Harvey, A.G., Houfek, K., Sunderland, A., Plummer, M., Gorfinkiel, J.D., Van Der Hart, H.

We describe and illustrate a number of recent developments of the atomic and molecular ab initio R-matrix suites for both time-dependent calculations of ultrafast laser-induced dynamics and time-independentcalculations of photoionization and electron scattering. © 2019 Published under licence by IOP Publishing Ltd.

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Some remarks on a model for rate-independent damage in thermo-visco-elastodynamics

2016, Lazzaroni, Giuliano, Rossi, Riccarda, Thomas, Marita, Toader, Rodica

This note deals with the analysis of a model for partial damage, where the rate- independent, unidirectional flow rule for the damage variable is coupled with the rate-dependent heat equation, and with the momentum balance featuring inertia and viscosity according to Kelvin-Voigt rheology. The results presented here combine the approach from Roubicek [1, 2] with the methods from Lazzaroni/Rossi/Thomas/Toader [3]. The present analysis encompasses, differently from [2], the monotonicity in time of damage and the dependence of the viscous tensor on damage and temperature, and, unlike [3], a nonconstant heat capacity and a time-dependent Dirichlet loading.

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General Time-Dependent Configuration-Interaction Singles II: The Atomic Case

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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Attosecond time delays in C60 valence photoemissions at the giant plasmon

2015, Barillot, T., Magrakvelidze, M., Loriot, V., Bordas, C., Hervieux, P.-A., Gisselbrecht, M., Johnsson, P., Laksman, J., Mansson, E.P., Sorensen, S., Canton, S.E., Dahlström, J.M., Dixit, G., Madjet, M.E., Lépine, F., Chakraborty, H.S.

We perform time-dependent local density functional calculations of the time delay in C60 HOMO and HOMO-1 photoionization at giant plasmon energies. A semiclassical model is used to develop further insights.

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General Time-Dependent Configuration-Interaction Singles I: The Molecular Case

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.

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Non-instantaneous third-order optical response of gases in low-frequency fields

2022, Morales, Felipe, Richter, Maria, Ivanov, Misha, Husakou, Anton

It is commonly assumed that for low-intensity short optical pulses far from resonance, the third-order optical nonlinear response is instantaneous. We solve the three-dimensional time-dependent Schrödinger equation for the hydrogen atom and show that this is not the case: the polarization is not simply proportional to the cube of the electric field even at low intensities. We analyze the fundamental-frequency and third-harmonic nonlinear susceptibilities of hydrogen, investigate their dependence on intensity, and find that the delays in the Kerr response rapidly approach the femtosecond time-scale at higher intensities, while the delays in the third harmonic generation remain much lower. We also propose an experimental scheme to detect and characterize the above effects.