84 citations · 402 across the 16 of their papers we have counts for
16 papers
Effect of surface temperature on quantum dynamics of H on Cu(111) using a chemically accurate potential energy surface
Joy Dutta, Souvik Mandal, Satrajit Adhikari +3
The effect of surface atom vibrations for H scattering from a Cu(111) surface at different temperatures is being investigated for hydrogen molecules in their rovibrational grou…
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…
Transferable Potential Function for Flexible HO Molecules Based on the Single Center Multipole Expansion
Elvar Örn Jónsson, Soroush Rasti, Marta Galynska +2
A potential function is presented for describing a system of flexible HO molecules based on the single center multipole expansion (SCME) of the electrostatic interaction. The m…
Inducing the controlled rotation of single o MeO DMBI molecules anchored on Au(111)
Frank Eisenhut, Jörg Meyer, Justus Krüger +3
A key step towards building single molecule machines is to control the rotation of molecules and nanostructures step by step on a surface. Here, we used the tunneling electrons com…
Temperature-Dependent Lifetimes of Low-Frequency Adsorbate Modes from Non-Equilibrium Molecular Dynamics Simulations
Francesco Nattino, Jörg Meyer
We present calculations on the damping of a low-frequency adsorbate mode on a metal surface, namely the frustrated translation of Na on Cu(100). For the first time, vibrational lif…