The temperature of a physical system is operationally defined in physics as “that quantity
which is measured by a thermometer” weakly coupled to, and at equilibrium with the system …

Electron–hole pair (ehp) excitation is thought to substantially affect the dynamics of
molecules on metal surfaces, but it is not clear whether this can be better addressed by …

Nonadiabatic effects that arise from the concerted motion of electrons and atoms at
comparable energy and time scales are omnipresent in thermal and light-driven chemistry at …

Thermochemical nonequilibrium is one of the most challenging issues when dealing with
hypersonic flows experienced by objects (space vehicles, meteoroids, space debris) at …

We use a pump-probe scheme to measure the time evolution of the CK-edge x-ray
absorption spectrum from CO/Ru (0001) after excitation by an ultrashort high-intensity …

The breakdown of the Born–Oppenheimer approximation gives rise to nonadiabatic effects
in gas-surface reactions at metal surfaces. However, for a given reaction, it remains unclear …

Time-resolved vibrational spectroscopy constitutes an invaluable experimental tool for
monitoring hot-carrier-induced surface reactions. However, the absence of a full …

A high-dimensional potential energy surface (PES) for CO interaction with the Au (111)
surface is developed using a machine-learning algorithm. Including both molecular and …

In this paper, we propose a simple approach to include quantum nuclear effects in the weak
electronic coupling regime within the independent electron surface hop** (IESH) method …

The unusual Raman spectrum of MgB 2 and its formidable temperature dependence are
successfully reproduced by means of a parameter-free ab initio nonadiabatic theory that …