24 citations · 41 across the 6 of their papers we have counts for
3 papers · 1 filter
Electronic friction coefficients from the atom-in-jellium model for
Nick Gerrits, J. Iñaki Juaristi, Jörg Meyer
The break-down of the Born-Oppenheimer approximation is an important topic in chemical dynamics on metal surfaces. In this context, the most frequently used "work-horse" is electro…
Potential Energy Landscape of CO Adsorbates on NaCl(100) and Implications in Isomerization of Vibrationally Excited CO
Jun Chen, Seenivasan Hariharan, Jörg Meyer +1
Several full-dimensional potential energy surfaces (PESs) are reported for vibrating CO adsorbates at two coverages on a rigid NaCl(100) surface based on first principles calculati…
Non-Adiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence
Simon P. Rittmeyer, Jörg Meyer, Karsten Reuter
We present a perturbation approach rooted in time-dependent density-functional theory to calculate electron hole (eh)-pair excitation spectra during the non-adiabatic vibrational d…