7.7k citations · 7.7k across the 1 of their papers we have counts for
3 papers
Accurate modeling of FeSe with screened Fock exchange and Hund's metal correlations
Tommaso Gorni, Pablo Villar Arribi, Michele Casula +1
We reproduce the electronic properties of FeSe in the high-temperature phase within an ab initio framework that includes screened Fock exchange and local dynamical correlations. We…
Spin dynamics from time-dependent density functional perturbation theory
Tommaso Gorni, Iurii Timrov, Stefano Baroni
We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This me…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…