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...
Main Authors: | Cao, K, Lambert, H, Radaelli, PG, Giustino, F |
---|---|
Format: | Journal article |
Published: |
American Physical Society
2018
|
Similar Items
-
Ab initio Sternheimer-GW method for quasiparticle calculations using plane waves
by: Lambert, H, et al.
Published: (2013) -
Ab initio converse NMR approach for pseudopotentials
by: Ceresoli, Davide, et al.
Published: (2010) -
Author Correction: Ab-initio calculations of shallow dopant qubits in silicon from pseudopotential and all-electron mixed approach
by: Hongyang Ma, et al.
Published: (2022-09-01) -
Quantum-chemical calculations of electronic spectra absorption: ab initio or semiempirical methods?
by: Volodymyr Ivanov, et al.
Published: (2021-03-01) -
Ab Initio Density Functional Theory Calculation: Americium Hydrolysis Mechanism
by: Na Shan, et al.
Published: (2024-01-01)