Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

By V. Staroverov, Gustavo E. Scuseria, Jianmin Tao, J. Perdew. 2003

How researchers see this paper

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

1. Grgoire Montavon
2. Matthias Rupp 
3. Klaus‐Robert Müller 
4. O. V. Lilienfeld
5. Wojciech Samek
6. M. Orio
7. J. Lewis
8. K. Müller

Citations in the corpus

• Machine learning of molecular electronic properties in chemical compound space (2013, background): “a PBE0, MAE of formation enthalpy for the G3/99 set [54, 55].”
• 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.”