110 citations · 238 across the 3 of their papers we have counts for
4 papers
Mode specific electronic friction in dissociative chemisorption on metal surfaces: H on Ag(111)
Reinhard J. Maurer, Bin Jiang, Hua Guo +1
Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic fricti…
Ab-initio tensorial electronic friction for molecules on metal surfaces: nonadiabatic vibrational relaxation
Reinhard J. Maurer, Mikhail Askerka, Victor S. Batista +1
Molecular adsorbates on metal surfaces exchange energy with substrate phonons and low-lying electron-hole pair excitations. In the limit of weak coupling, electron-hole pair excita…
Communication: Charge-Population Based Dispersion Interactions for Molecules and Materials
Martin Stöhr, Georg S. Michelitsch, John C. Tully +2
We introduce a system-independent method to derive effective atomic C coefficients and polarizabilities in molecules and materials purely from charge population analysis. This…
The Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces
Mikhail Askerka, Reinhard J. Maurer, Victor S. Batista +1
An accurate description of nonadiabatic energy relaxation is crucial for modeling atomistic dynamics at metal surfaces. Interfacial energy transfer due to electron-hole pair excita…