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...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखकों: Cao, K, Lambert, H, Radaelli, PG, Giustino, F
स्वरूप: Journal article
प्रकाशित: American Physical Society 2018