Real-space, real-time method for the dielectric function
By G. Bertsch, J. Iwata, Á. Rubio, Kazuhiro Yabana. 2000
265 citations recorded by the source corpus.
We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional theory, using a real-space representation of the electron wave functions and calculating the dynamics in real time. The real-space formulation increases the efficiency for calculating the interaction, and the real-time treatment decreases storage requirements and allows the entire frequency-dependent dielectric function to be calculated at once. We give as examples the dielectric functions of a simple metal, lithium, and an elemental insulator, diamond.
Subfields: Materials Chemistry, Structural Biology, Surfaces, Coatings and Films
View Paper: https://www.semanticscholar.org/paper/32d46c5e5edffcb31aae6a4f739cc5ec3c54caa5
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Materials Chemistry
In Structural Biology
In Surfaces, Coatings and Films
Citations in the corpus
- Electronic excitations: density-functional versus many-body Green's-function approaches (2002, unknown): “The approaches which will be discussed in this review can exhibit a much better scaling, according to the system and to the numerical implementation (Benedict et al., 1998a; Bertsch et al., 2000; Hahn et al., 2002; Vasiliev et al., 2002).”
- Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. (2019, background): “22 The back-action of the matter subsystem on the laser pulse, the subsequent effect of this modified pulse on the matter, and so on are ignored.”