Hybrid functionals applied to extended systems

By Martijn Marsman, Joachim A. Paier, A. Stroppa, Georg Kresse. Journal of Physics: Condensed Matter, 2008

610 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/565ec6c655777cb967700149618b75916f65a97e

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. David D. Awschalom
4. C. G. Van de Walle
5. J. Varley
6. A. Janotti
7. Stefan Grimme
8. M. Head‐Gordon

In Electronic, Optical and Magnetic Materials

1. C. G. Van de Walle
2. Donald G. Truhlar
3. A. Janotti
4. J. L. Lyons

In Inorganic Chemistry

1. Donald G. Truhlar
2. Roberto Peverati

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”
• Quantum computing with defects (2010, methodology): “The hybrid functional calculations (including atomic relaxations) were performed within the HSE06 formalism (38, 39).”