Tests of a ladder of density functionals for bulk solids and surfaces
By V. Staroverov, Gustavo E. Scuseria, Jianmin Tao, J. Perdew. 2004
323 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/0453d73a7c934d8d60d53cb602f9dd72584f965f
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
- Roberto Peverati
- Donald G. Truhlar
- J. Lewis
- Eduardo V. Ludeña
- Eugene S. Kryachko
- J. Perdew
- O. V. Lilienfeld
- Mehran Kardar
In Condensed Matter Physics
In Materials Chemistry
- Roberto Peverati
- Donald G. Truhlar
- Eduardo V. Ludeña
- Eugene S. Kryachko
- J. Perdew
- O. V. Lilienfeld
- J. Lewis
- Y. Chiang
Citations in the corpus
- Density functional theory: Foundations reviewed (2014, background): “[388]) in order to generate the so-called ‘‘non-empirical’’ functionals.”
- Long Range Interactions in Nanoscale Science. (2010, background): “…successful in describing the properties in dense materials and isolated molecules, where local and semilocal approximations and their generalizations typically give satisfactory results Staroverov et al., 2003, 2004 ; hybrid functionals Sousa et al., 2007 play a special role in the molecular case.”
- Piezoelectricity in two-dimensional group-III monochalcogenides (2015, result): “The structural parameters obtained from the DFT calculations are in perfect agreement with a previous study [35]; their slightly greater magnitude compared to the bulk experimental values can be attributed to the use of a PBE exchangecorrelation functional, which tends to overestimate lattice parame”
- Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, methodology): “We first used this database for the evaluation of the SOGGA functional [30]; reference data are taken from [104], and the geometry of each solid is optimized for each method.”