𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional perturbation theory within the projector augmented wave method

✍ Scribed by Dal Corso, Andrea


Book ID
120244674
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
147 KB
Volume
81
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


An implementation of core level spectros
✍ M.P. Ljungberg; J.J. Mortensen; L.G.M. Pettersson πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 900 KB

We describe the implementation of K-shell core level spectroscopies (X-ray absorption (XAS), X-ray emission (XES), and X-ray photoemission (XPS)) in the real-space-grid-based Projector Augmented Wave (PAW) GPAW code. The implementation for XAS is based on the Haydock recursion method avoiding comput