Quantum Dissipative Dynamics (QDD): A real-time real-space approach to far-off-equilibrium dynamics in finite electron systems

Published: 17 September 2021| Version 1 | DOI: 10.17632/jpwzm9knmb.1
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Description

In this paper, we present “QDD” (Quantum Dissipative Dynamics), a code package for simulating the dynamics of electrons and ions in finite electron systems (atoms, molecules, clusters) under the influence of external electromagnetic fields. Electron emission is properly accounted for. The novel feature of the present code is that it also covers the description of dissipative dynamics induced by dynamical correlations generated by electron-electron collisions. The paper reviews the underlying theoretical as well as numerical methods and demonstrates the code's capabilities on a selection of typical examples.

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Atomic Physics, Computational Physics, Density Functional Theory

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