3 citations · 3 across the 2 of their papers we have counts for
3 papers
Evaluating covalency using RIXS spectral weights: Silver fluorides vs. cuprates
Ilya Degtev, Daniel Jezierski, Adrián Gómez Pueyo +9
We investigate the electronic structure of AgF2, AgFBF4, AgF and Ag2O using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the Ag L3 edge. XA…
How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces
Adrián Gómez Pueyo, Jazmín Aragón Sánchez, Ilya Degtev +11
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the…
Optimal control with non-adiabatic Molecular Dynamics: application to the Coulomb explosion of Sodium clusters
Adrián Gómez Pueyo, Jorge A. Budagosky M., Alberto Castro
We present an implementation of optimal control theory for the first-principles non-adiabatic Ehrenfest Molecular Dynamics model, which describes a condensed matter system by consi…