P. Macchi

collaborators

2 papers

cond-mat.supr-con2021

The structure of the superconducting high-pressure phase of Sc $_{3}$ CoC $_{4}$

Jan Langmann, Marcel Vöst, Dominik Schmitz +8

We investigate pressure-induced structural changes to the Peierls-type distorted low-temperature phase of the low-dimensional Sc $_{3}$ CoC $_{4}$ as a possible origin of its pressure-enh…

physics.chem-ph2020

Frozen-Density Embedding Theory based simulations with experimental electron densities

Niccolò Ricardi, Michelle Ernst, Piero Macchi +1

The basic idea of Frozen-Density Embedding Theory (FDET) is the constrained minimisation of the Hohenberg-Kohn density functional $E^{H K} [ρ]$ performed using the auxiliary function…

The structure of the superconducting high-pressure phase of Sc3​CoC4​

Frozen-Density Embedding Theory based simulations with experimental electron densities

The structure of the superconducting high-pressure phase of Sc $_{3}$ CoC $_{4}$