J
Jiří Klimeš
Researcher at Charles University in Prague
Publications - 63
Citations - 11193
Jiří Klimeš is an academic researcher from Charles University in Prague. The author has contributed to research in topics: van der Waals force & Random phase approximation. The author has an hindex of 31, co-authored 61 publications receiving 9807 citations. Previous affiliations of Jiří Klimeš include Academy of Sciences of the Czech Republic & University College London.
Papers
More filters
Journal ArticleDOI
Van der Waals density functionals applied to solids
TL;DR: The van der Waals density functional (vdW-DF) is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals and has been demonstrated in the literature as discussed by the authors.
Journal ArticleDOI
Chemical accuracy for the van der Waals density functional
TL;DR: It is shown here that the accuracy of vdW-DF can be dramatically improved both for dispersion and hydrogen bonded complexes through the judicious selection of its underlying exchange functional.
Journal ArticleDOI
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.
Jiří Klimeš,Angelos Michaelides +1 more
TL;DR: The last decade has seen a surge of enthusiasm in the DFT community to tackle this problem and in so-doing to extend the applicability of DFT-based methods, and some of the promising schemes to emerge in recent years are discussed.
Journal ArticleDOI
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Jiří Klimeš,Angelos Michaelides +1 more
TL;DR: The most widely used electronic structure technique, density functional theory (DFT), failing to describe them with standard approximations, therefore, applications of DFT to systems where dispersion is important have traditionally been of questionable accuracy as discussed by the authors.
Journal ArticleDOI
Graphene on Ni(111): Strong interaction and weak adsorption
TL;DR: In this article, the adsorption of graphene on Ni(111) has been investigated on the basis of the adiabatic-connection fluctuation-dissipation theorem in the random phase approximation (RPA).