A fast and robust algorithm for Bader decomposition of charge density

By Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson. 2006

9,057 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/3afe0d464c27f296fb75c929c42f7aa62d0ea23b

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. Hui‐Ming Cheng
2. K. Klyukin
3. Dallas R. Trinkle
4. V. Alexandrov
5. S. Smaalen
6. S. J. Prathapa
7. L. Palatinus
8. Axel van de Walle

In Materials Chemistry

1. Guangmin Zhou
2. Hui‐Ming Cheng
3. Feng Li
4. S. Pei
5. L. Yin
6. A. Gencer
7. S. Pillai
8. A. Candan

Citations in the corpus

• Role of Dissolution Intermediates in Promoting Oxygen Evolution Reaction at RuO2(110) Surface (2019, methodology): “43 The Bader charge analysis 44 is used to determine the evolution of the Ru oxidation state upon dissolution.”