The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …
predicting electronic excitations in chemical compounds and materials. In the realm of …
Electron-phonon interactions from first principles
F Giustino - Reviews of Modern Physics, 2017 - APS
This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
Structural phase transition, s±-wave pairing, and magnetic stripe order in bilayered superconductor La3Ni2O7 under pressure
Motivated by the recently discovered high-T c superconductor La3Ni2O7, we
comprehensively study this system using density functional theory and random phase …
comprehensively study this system using density functional theory and random phase …
Quantum ESPRESSO toward the exascale
Q uantum ESPRESSO is an open-source distribution of computer codes for quantum-
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
mechanical materials modeling, based on density-functional theory, pseudopotentials, and …
Trends in electronic structures and -wave pairing for the rare-earth series in bilayer nickelate superconductor
The recent discovery of pressure-induced superconductivity in the bilayer La 3 Ni 2 O 7
(LNO) has opened a new platform for the study of unconventional superconductors. In this …
(LNO) has opened a new platform for the study of unconventional superconductors. In this …
[HTML][HTML] CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …
ABINIT: Overview and focus on selected capabilities
ABSTRACT ABINIT is probably the first electronic-structure package to have been released
under an open-source license about 20 years ago. It implements density functional theory …
under an open-source license about 20 years ago. It implements density functional theory …
Recent developments in the ABINIT software package
ABINIT is a package whose main program allows one to find the total energy, charge
density, electronic structure and many other properties of systems made of electrons and …
density, electronic structure and many other properties of systems made of electrons and …
Prediction of -Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates under Pressure
Motivated by the recently reported signatures of superconductivity in trilayer La 4 Ni 3 O 10
under pressure, we comprehensively study this system using ab initio and random-phase …
under pressure, we comprehensively study this system using ab initio and random-phase …
Advanced capabilities for materials modelling with Quantum ESPRESSO
Q uantum 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 …
simulations of materials using state-of-the-art electronic-structure techniques, based on …