TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
DOI10.1016/J.CPC.2015.05.021zbMATH Open1360.81022arXiv2111.06623OpenAlexW658301530MaRDI QIDQ525664FDOQ525664
Authors: Iurii Timrov, Nathalie Vast, Ralph Gebauer, Stefano Baroni 
Publication date: 5 May 2017
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2111.06623
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Parallel numerical computation (65Y05) Computational methods for problems pertaining to quantum theory (81-08) Inelastic and multichannel quantum scattering (81U35) Software, source code, etc. for problems pertaining to quantum theory (81-04) Numerical algorithms for specific classes of architectures (65Y10)
Cites Work
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- turboTDDFT 2.0 -- hybrid functionals and new algorithms within time-dependent density-functional perturbation theory
- Parallel iterative methods for sparse linear systems
- Pseudo-Hermiticity versus PT symmetry: The necessary condition for the reality of the spectrum of a non-Hermitian Hamiltonian
- A dielectric formulation of the many body problem: Application to the free electron gas
- Electronic Structure
- TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Cited In (7)
- turboTDDFT 2.0 -- hybrid functionals and new algorithms within time-dependent density-functional perturbation theory
- turboMagnon -- a code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- PySCF-NAO: an efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals
- \texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- A structure preserving Lanczos algorithm for computing the optical absorption spectrum
- TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
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