exciting is a full-potential all-electron density-functional-theory package implementing the families of linearized augmented planewave methods. It can be applied to all kinds of materials, irrespective of the atomic species involved, and also allows for exploring the physics of core electrons. A particular focus are excited states within many-body perturbation theory.
Keywords for this software
References in zbMATH (referenced in 4 articles )
Showing results 1 to 4 of 4.
- Susi Lehtola; Conrad Steigemann; Micael J.T. Oliveira; Miguel A.L. Marques: Recent developments in libxc - A comprehensive library of functionals for density functional theory (2018) not zbMATH
- Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.: Linearized self-consistent quasiparticle GW method: application to semiconductors and simple metals (2017)
- Di Napoli, Edoardo; Berljafa, Mario: Block iterative eigensolvers for sequences of correlated eigenvalue problems (2013)
- Di Napoli, Edoardo; Blügel, Stefan; Bientinesi, Paolo: Correlations in sequences of generalized eigenproblems arising in density functional theory (2012)