Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters
Published 2010 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 132, Issue 13, Pages 134303
Publisher
AIP Publishing
Online
2010-04-06
DOI
10.1063/1.3373815
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters
- (2009) Pier Luigi Silvestrelli CHEMICAL PHYSICS LETTERS
- New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree-Fock approaches
- (2009) P. Reinhardt et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism
- (2009) Oleg A. Vydrov et al. JOURNAL OF CHEMICAL PHYSICS
- Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers
- (2009) André K. Kelkkanen et al. JOURNAL OF CHEMICAL PHYSICS
- Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes
- (2009) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Energy decomposition analysis of covalent bonds and intermolecular interactions
- (2009) Peifeng Su et al. JOURNAL OF CHEMICAL PHYSICS
- Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
- (2009) Éamonn D. Murray et al. Journal of Chemical Theory and Computation
- CCSD(T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures
- (2009) Desiree M. Bates et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Importance of van der Waals Interactions in Liquid Water
- (2009) I-Chun Lin et al. JOURNAL OF PHYSICAL CHEMISTRY B
- 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
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- The self-interaction error and the description of non-dynamic electron correlation in density functional theory
- (2009) Jürgen Gräfenstein et al. THEORETICAL CHEMISTRY ACCOUNTS
- On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
- (2008) Biswajit Santra et al. JOURNAL OF CHEMICAL PHYSICS
- Assessment of the Accuracy of Density Functionals for Prediction of Relative Energies and Geometries of Low-Lying Isomers of Water Hexamers
- (2008) Erin E. Dahlke et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Popular Kohn-Sham density functionals strongly overestimate many-body interactions in van der Waals systems
- (2008) Alexandre Tkatchenko et al. PHYSICAL REVIEW B
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now