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20212026
most citedFirst-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer

1 citations · 2 across the 8 of their papers we have counts for

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cond-mat.mtrl-sci2026

Memory-dependent electronic friction for nonadiabatic dynamics at metal surfaces

Xuexun Lu, Connor L. Box, Nils Hertl +1

Electronic excitation induced by nuclear motion is a key energy dissipation channel in chemical dynamics at metal surfaces. Here, nonadiabatic effects can be treated via molecular…

cond-mat.mtrl-sci2026

First-principles Newns-Anderson Hamiltonian Construction for Chemisorbed Hydrogen at Metal Surfaces

Nils Hertl, Zsuszanna Koczor-Benda, Reinhard J. Maurer

The Newns-Anderson Hamiltonian is widely used to describe adsorption at gas-solid interfaces, yet its construction typically relies on simplifying assumptions such as constant coup…