Ab initio calculation of spin fluctuation spectra using time-dependent density functional perturbation theory, plane waves, and pseudopotentials

We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on plane waves and pseudopotentials. We compute the dynamic spin susceptibility self-consistently by solving the time-dependent Sternheimer equation, within the adiabatic local density...

Deskribapen osoa

Xehetasun bibliografikoak
Egile Nagusiak: Cao, K, Lambert, H, Radaelli, PG, Giustino, F
Formatua: Journal article
Argitaratua: American Physical Society 2018