Full-Potential Electronic Structure Method

By J. Wills, O. Eriksson, P. Andersson, A. Delin, Oleksiy Grechnyev, M. Alouani. 2010

190 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/546bb9d9f25e25059624806727862bca9d50ce47

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Nicola Marzari
2. D. Vanderbilt
3. Alexandre Tkatchenko
4. Matthias Scheffler
5. Volker Blum
6. Jonathan R. Yates
7. Gian-Marco Rignanese
8. Georg Kresse

In Physical and Theoretical Chemistry

1. Matthias Scheffler
2. Nicola Marzari
3. Alexandre Tkatchenko
4. Stefan Goedecker
5. Veronique Van Speybroeck
6. Stefaan Cottenier
7. D. Vanderbilt
8. Stefano de Gironcoli

Citations in the corpus

• Reproducibility in density functional theory calculations of solids (2016, methodology): “In contrast to these approaches, allelectron methods explicitly construct basis functions that are restricted to a specific energy range [linearized augmentedplanewave (LAPW) (36–39) and linearmuffin-tin orbital (LMTO) (40)methods] or treat core and valence states on equal footing (e.g., by using nu”