Evaluation of a density functional with account of van der Waals forces using experimental data of H2physisorption on Cu(111)
Published 2011 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Evaluation of a density functional with account of van der Waals forces using experimental data of H2physisorption on Cu(111)
Authors
Keywords
-
Journal
PHYSICAL REVIEW B
Volume 84, Issue 19, Pages -
Publisher
American Physical Society (APS)
Online
2011-11-18
DOI
10.1103/physrevb.84.193408
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Do Two-Dimensional “Noble Gas Atoms” Produce Molecular Honeycombs at a Metal Surface?
- (2011) Jonathan Wyrick et al. NANO LETTERS
- Why Sliding Friction of Ne and Kr Monolayers Is So Different on the Pb(111) Surface
- (2011) Y. N. Zhang et al. PHYSICAL REVIEW LETTERS
- Dispersion and induction interactions of graphene with nanostructures
- (2011) John F. Dobson SURFACE SCIENCE
- Vanadium pentoxide (V2O5): A van der Waals density functional study
- (2010) Elisa Londero et al. COMPUTER PHYSICS COMMUNICATIONS
- Van der Waals density functional calculations of binding in molecular crystals
- (2010) Kristian Berland et al. COMPUTER PHYSICS COMMUNICATIONS
- Structure and binding in crystals of cagelike molecules: Hexamine and platonic hydrocarbons
- (2010) Kristian Berland et al. JOURNAL OF CHEMICAL PHYSICS
- Basis set consistent revision of the S22 test set of noncovalent interaction energies
- (2010) Tait Takatani et al. JOURNAL OF CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Improved interaction energy benchmarks for dimers of biological relevance
- (2010) Rafał Podeszwa et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Adsorption ofn-butane on Cu(100), Cu(111), Au(111), and Pt(111): Van der Waals density-functional study
- (2010) Kyuho Lee et al. PHYSICAL REVIEW B
- Van der Waals density functional: An appropriate exchange functional
- (2010) Valentino R. Cooper PHYSICAL REVIEW B
- Higher-accuracy van der Waals density functional
- (2010) Kyuho Lee et al. PHYSICAL REVIEW B
- Non-empirical derivation of the parameter in the B88 exchange functional
- (2009) Peter Elliott et al. CANADIAN JOURNAL OF CHEMISTRY
- Further analysis and comparative study of intermolecular interactions using dimers from the S22 database
- (2009) Laszlo Fusti Molnar et al. JOURNAL OF CHEMICAL PHYSICS
- Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics
- (2009) Felix O. Kannemann et al. Journal of Chemical Theory and Computation
- Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
- (2009) Éamonn D. Murray et al. Journal of Chemical Theory and Computation
- An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S†
- (2009) C. David Sherrill et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A density functional for sparse matter
- (2009) D C Langreth et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Chemical accuracy for the van der Waals density functional
- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Energetics and Dynamics ofH2Adsorbed in a Nanoporous Material at Low Temperature
- (2009) Lingzhu Kong et al. PHYSICAL REVIEW LETTERS
- Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
- (2009) Guillermo Román-Pérez et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started