M Hernández Vera, TC Jagau - The Journal of chemical physics, 2020 - pubs.aip.org
We study the performance of the resolution-of-the-identity (RI) approximation for complex basis functions that we recently introduced [M. Hernández Vera and T.-C. Jagau, J. Chem …
We present derivation and implementation of the multiconfigurational strong-field approximation with Gaussian nuclear wave packets (MC-SFA-GWP)—a version of the …
The influence of hydrogen bonding and the associated attosecond hole delocalization on the high-order harmonic generation (HHG) process is investigated with the help of hydrogen …
We measure the ellipticity dependence of high-harmonic generation (HHG) from unaligned gas-phase ensembles of the five-membered ring molecules 2, 3-dihydrofuran (C 4 H 6 O) …
We measure the ellipticity dependence of high-order harmonic intensities generated from benzene (C 6 H 6) molecules with and without a yttrium aluminum garnet (YAG) laser field …
Particle-like charge migration (CM) is the coherent, back-and-forth motion of a positively- charged electron hole along the backbone of a molecule following a sudden ionization. CM …
Cyclic Aromatic molecules are the subject of continued research due to their highly advantageous characteristics which can be exploited in the areas of pharmaceuticals …
Understanding the electronic structure and dynamics of cyclic organic molecules is becoming increasingly the subject of investigations from different perspectives due to their …
We present derivation and implementation of the Multi-Configurational Strong-Field Approximation with Gaussian nuclear Wave Packets (MC-SFA-GWP)--a version of the …