Publications by authors named "Jessica Walkenhorst"

Molecular absorption and photoelectron spectra can be efficiently predicted with real-time time-dependent density functional theory. We show herein how these techniques can be easily extended to study time-resolved pump-probe experiments, in which a system response (absorption or electron emission) to a probe pulse is measured in an excited state. This simulation tool helps with the interpretation of fast-evolving attosecond time-resolved spectroscopic experiments, in which electronic motion must be followed at its natural timescale.

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We compute the potential energy surface of femtosecond-laser-excited InSb along the directions in which the crystal becomes soft. Using dynamical simulations the time dependence of the atomic coordinates is obtained. We find that at high excitation densities the anharmonicity of the potential energy surface becomes significant after approximately 100 fs.

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