Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation
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Publication:2696415
DOI10.1016/j.cpc.2019.02.009OpenAlexW2893708764WikidataQ128341550 ScholiaQ128341550MaRDI QIDQ2696415
Publication date: 14 April 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1809.09609
time-dependent density functional theoryparallel transport gaugeadaptively compressed exchangehybrid exchange-correlation functionalreal time evolution
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Cites Work
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
- Optimization algorithm for the generation of ONCV pseudopotentials
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
- Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations
- Quantum Dynamics with the Parallel Transport Gauge
- Iterative Procedures for Nonlinear Integral Equations
- Adaptively Compressed Polarizability Operator for Accelerating Large Scale Ab Initio Phonon Calculations
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