Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors

By K. Hummer, J. Harl, Georg Kresse. 2009

204 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/4d4a4fd25f97a51fde0dee8aa337c89d266273c8

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. Roberto Peverati
2. Donald G. Truhlar
3. Stefan Grimme
4. M. Head‐Gordon
5. Yan Zhao
6. Narbe Mardirossian
7. Lars Goerigk
8. Robert O. Jones

In Materials Chemistry

1. Roberto Peverati
2. Donald G. Truhlar
3. Stefan Grimme
4. Yan Zhao
5. M. Head‐Gordon
6. Narbe Mardirossian
7. Robert O. Jones

Citations in the corpus

• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, background): “We note that the savings in computer time when compared with hybrid functionals that do not screen the exchange depend strongly on the software, but in some cases ‘it reduces significantly’ [57], for example, owing to reducing the number of k points needed for calculations with periodic boundary con”