Related references
Note: Only part of the references are listed.Improving the Description of Nonmagnetic and Magnetic Molecular Crystals via the van der Waals Density Functional
Masao Obata et al.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2015)
Bottom-Up Graphene-Nanoribbon Fabrication Reveals Chiral Edges and Enantioselectivity
Patrick Han et al.
ACS NANO (2014)
Adsorption of Large Hydrocarbons on Coinage Metals: A van der Waals Density Functional Study
Jonas Bjork et al.
CHEMPHYSCHEM (2014)
Pseudopotentials periodic table: From H to Pu
Andrea Dal Corso
COMPUTATIONAL MATERIALS SCIENCE (2014)
Testing several recent van der Waals density functionals for layered structures
Torbjorn Bjorkman
JOURNAL OF CHEMICAL PHYSICS (2014)
Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells
Jun Haruyama et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Many-body van der Waals interactions in molecules and condensed matter
Robert A. DiStasio et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
van der Waals density functional made accurate
Ikutaro Hamada
PHYSICAL REVIEW B (2014)
Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)
Ivor Loncaric et al.
PHYSICAL REVIEW B (2014)
Origin of the band dispersion in a metal phthalocyanine crystal
Susumu Yanagisawa et al.
PHYSICAL REVIEW B (2014)
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism
Ngoc Linh Nguyen et al.
PHYSICAL REVIEW B (2014)
Interpretation of van der Waals density functionals
Per Hyldgaard et al.
PHYSICAL REVIEW B (2014)
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
Kristian Berland et al.
PHYSICAL REVIEW B (2014)
Nonlocal van der Waals functionals: The case of rare-gas dimers and solids
Fabien Tran et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Implementation of van der Waals Density Functional Approach to the Spin-Polarized System: Interaction Potential between Oxygen Molecules
Masao Obata et al.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2013)
Nonlocal van der Waals density functional made simple and efficient
Riccardo Sabatini et al.
PHYSICAL REVIEW B (2013)
A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications
Jun Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Jiri Klimes et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
Jess Wellendorff et al.
PHYSICAL REVIEW B (2012)
Vanadium pentoxide (V2O5): A van der Waals density functional study
Elisa Londero et al.
COMPUTER PHYSICS COMMUNICATIONS (2011)
Density, structure, and dynamics of water: The effect of van der Waals interactions
Jue Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Pseudopotential approximation in van derWaals density functional calculations
Ikutaro Hamada et al.
PHYSICAL REVIEW B (2011)
Van der Waals density functionals applied to solids
Jiri Klimes et al.
PHYSICAL REVIEW B (2011)
On the Importance of Gradient-Corrected Correlation for van der Waals Density Functionals
Jess Wellendorff et al.
TOPICS IN CATALYSIS (2011)
Density functional theory with London dispersion corrections
Stefan Grimme
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
A first-principles study of weakly bound molecules using exact exchange and the random phase approximation
Huy-Viet Nguyen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions
Deyu Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Basis set consistent revision of the S22 test set of noncovalent interaction energies
Tait Takatani et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Nonlocal van der Waals density functional: The simpler the better
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Chemical accuracy for the van der Waals density functional
Jiri Klimes et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces
Alexandre Tkatchenko et al.
MRS BULLETIN (2010)
Van der Waals density functional: An appropriate exchange functional
Valentino R. Cooper
PHYSICAL REVIEW B (2010)
Higher-accuracy van der Waals density functional
Kyuho Lee et al.
PHYSICAL REVIEW B (2010)
Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
Eamonn D. Murray et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
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
C. David Sherrill et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Dispersion interactions in density-functional theory
Erin R. Johnson et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Linear-scaling self-consistent implementation of the van der Waals density functional
Andris Gulans et al.
PHYSICAL REVIEW B (2009)
Nonlocal van der Waals Density Functional Made Simple
Oleg A. Vydrov et al.
PHYSICAL REVIEW LETTERS (2009)
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces (vol 100, art no 136406, 2008)
John P. Perdew et al.
PHYSICAL REVIEW LETTERS (2009)
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
Guillermo Roman-Perez et al.
PHYSICAL REVIEW LETTERS (2009)
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
Judith Harl et al.
PHYSICAL REVIEW B (2008)
Popular Kohn-Sham density functionals strongly overestimate many-body interactions in van der Waals systems
Alexandre Tkatchenko et al.
PHYSICAL REVIEW B (2008)
Restoring the density-gradient expansion for exchange in solids and surfaces
John P. Perdew et al.
PHYSICAL REVIEW LETTERS (2008)
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
T. Thonhauser et al.
PHYSICAL REVIEW B (2007)
Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers
Rafal Podeszwa et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
P Jurecka et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Small representative benchmarks for thermochemical calculations
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Van der Waals density functional for layered structures -: art. no. 126402
H Rydberg et al.
PHYSICAL REVIEW LETTERS (2003)
State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers:: Ar2, Kr2, and Xe2
P Slavícek et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The van der Waals potentials between all the rare gas atoms from He to Rn
KT Tang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
An accurate interaction potential for neon dimer (Ne2)
RJ Gdanitz
CHEMICAL PHYSICS LETTERS (2001)