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

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...

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Dettagli Bibliografici
Autori principali:	Cao, K, Lambert, H, Radaelli, PG, Giustino, F
Natura:	Journal article
Pubblicazione:	American Physical Society 2018

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