Andreas Markmann

TL;DR: The Cimarron project as discussed by the authors developed a massively parallel molecular dynamics (MD) code for dense plasmas, which is used to simulate atomic, radiative, and nuclear processes.

TL;DR: The photoelectron spectrum of the pentatetraene cation in the neighborhood of the B (2)E state, which can be represented with charge-localized components, is calculated using the multiconfiguration time-dependent Hartree method.

TL;DR: Two different crossings, an avoided crossing and a conical intersection, are the key steps for forward and backward electron and proton transfer providing to the system photostability against UV radiation by restoring the system in its initial electronic and geometric structure.

TL;DR: Wave packet spreading is predicted by all methods, so it is not the source of the unphysical diminishing of electron-nuclear interactions in WPMD at high temperatures, but the Gaussian WP's inability to correctly reproduce breakup of the electron's probability density into localized density near the protons is responsible for the deviation from more accurate predictions.

TL;DR: The accuracy of the TSTG method is demonstrated as applied to simulations of quantum tunneling, showing quantitative agreement with benchmark calculations based on the split-operator Fourier transform method.