4 papers
Dual role of core electrons in electronic friction
Runfeng Zhou, Emilio Artacho
Non-equilibrium energy dissipation in multi-shell swift-ion/matter systems remains a fundamental yet incompletely understood problem, with electronic stopping power \(\mathcal{S}_\…
Rototranslational sum rules for nuclear dynamics via traveling pseudopotentials
Massimiliano Stengel, Miquel Royo, Emilio Artacho
We establish a set of exact sum rules that relate the interatomic force constants to the frequency-dependent electromagnetic susceptibility of a solid or molecule, thereby generali…
First-Principles Nanocapacitor Simulations of the Optical Dielectric Constant in Water Ice
Anthony Mannino, Graciele M. Arvelos, Kedarsh Kaushik +5
We introduce a combined density functional theory (DFT) and non-equilibrium Green's function (NEGF) framework to compute the capacitance of nanocapacitors and directly extract the…
Redefining the dielectric response of nanoconfined liquids: insights from water
Jon Zubeltzu, Fernando Bresme, Matthew Dawber +2
Recent experiments show that the relative dielectric constant of water confined to a film of nanometric thickness reaches a strikingly low value of 2.1, barely above the bulk'…