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

Iurii Timrov; Nathalie Vast; Ralph Gebauer; Stefano Baroni

doi:10.1016/j.cpc.2015.05.021

Keywords

Lanczos resamplingPerturbation theory (quantum mechanics)Inelastic scatteringPhysicsDensity functional theoryComputational physicsElectronSpectral lineCode (set theory)Lanczos algorithmScatteringQuantum mechanicsComputer scienceEigenvalues and eigenvectors

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Publication Info

Year: 2015
Type: article
Volume: 196
Pages: 460-469
Citations: 72
Access: Closed

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APA Style

                            
                                    Iurii Timrov, 
                                
                                    Nathalie Vast, 
                                
                                    Ralph Gebauer
                                
                                et al.
                            
                            (2015). 
                            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. 
                            Computer Physics Communications
                            , 196
                            
                            , 460-469.
                            https://doi.org/10.1016/j.cpc.2015.05.021

Identifiers

DOI: 10.1016/j.cpc.2015.05.021