F Ancilotto, M Barranco, F Coppens… - … Reviews in Physical …, 2017 - Taylor & Francis
During the last decade, density function theory (DFT) in its static and dynamic time dependent forms, has emerged as a powerful tool to describe the structure and dynamics of …
The studies of defects formed by impurity particles (atoms, molecules, exciplexes, clusters, free electrons, and positive ions) embedded in liquid and solid 4He are reviewed. The …
Doping helium nanodroplets with more than a single Mg atom leads to a shift of the atomic absorption from 279 nm to 282 nm. This behavior is stable against a change of the chosen …
A Hernando, M Barranco, R Mayol, M Pi… - Physical Review B …, 2008 - APS
We have studied the structure of H 4 e droplets doped with magnesium atoms using density functional theory. We have found that the solvation properties of this system strongly depend …
E Asare, AR Musah, E Curotto, DL Freeman… - The Journal of chemical …, 2009 - pubs.aip.org
Several stochastic simulations of the TIP4P [WL Jorgensen, J. Chandrasekhar, JD Madura, RW Impey, and ML Klein, J. Chem. Phys. 79, 926 (1983)] water octamer are performed. Use …
A Hernando, M Barranco, R Mayol, M Pi… - Physical Review B …, 2008 - APS
Within density functional theory, we have obtained the structure of He 4 droplets doped with neutral calcium atoms. These results have been used, in conjunction with newly determined …
Y Ren, VV Kresin - Physical Review A—Atomic, Molecular, and Optical …, 2007 - APS
There has been notable uncertainty regarding the degree of solvation of alkaline-earth- metals atoms, especially Mg, in free He 4 nanodroplets. We have measured the electron …
MP de Lara-Castells, R Fernández-Perea… - The Journal of …, 2016 - pubs.aip.org
The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van- der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the …
F Cargnoni - Chemical Physics Letters, 2023 - Elsevier
We present a theoretical investigation on the electronic structure of the C− He complex, either in the ground and in several spin-singlet and spin-triplet excited states. The interaction …