Cargando…
Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory
The development of linear-scaling density functional theory (LS-DFT) has made ab initio calculations on systems containing thousands of atoms possible. These systems range from nanostructures to biomolecules. These methods rely on the use of localized basis sets, which are optimised for the represen...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cham :
Springer International Publishing : Imprint: Springer,
2013.
|
| Edición: | 1st ed. 2013. |
| Colección: | Springer Theses, Recognizing Outstanding Ph.D. Research,
|
| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- Density Functional Theory
- Linear-Scaling Methods
- Theoretical Spectroscopy
- Basis Sets and Band Structures
- Conduction States: Methods and Applications
- Results and Discussion.