Adaptively Compressed Polarizability Operator for Accelerating Large Scale Ab Initio Phonon Calculations
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Publication:5737743
DOI10.1137/16M1077325zbMath1369.82020arXiv1605.08021MaRDI QIDQ5737743
Publication date: 30 May 2017
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1605.08021
Dyson equationSternheimer equationadaptive compressiondensity functional perturbation theoryphonon calculationspolarizability operator
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Related Items (6)
Cubic scaling algorithms for RPA correlation using interpolative separable density fitting ⋮ Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation ⋮ KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set ⋮ Split representation of adaptively compressed polarizability operator ⋮ Numerical methods for Kohn–Sham density functional theory ⋮ Fast optical absorption spectra calculations for periodic solid state systems
Uses Software
Cites Work
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