Higher order multipole three-body van der Waals interactions and stability of rare gas solids
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March 1971 |
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
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October 2016 |
Exchange-hole dipole moment and the dispersion interaction revisited
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October 2007 |
Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids
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June 2010 |
Asymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy Functionals
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February 2006 |
Comprehensive Benchmarking of a Density-Dependent Dispersion Correction
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October 2011 |
Graphite and Hexagonal Boron-Nitride have the Same Interlayer Distance. Why?
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February 2012 |
Structure and properties of small sodium clusters
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April 2002 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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September 2009 |
Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids
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February 2013 |
Physical Adsorption: Theory of van der Waals Interactions between Particles and Clean Surfaces
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March 2014 |
A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations
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November 2016 |
Communication: Non-additivity of van der Waals interactions between nanostructures
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October 2014 |
Electronic structures and stabilities of sodium clusters: jellium-sphere dimer calculation
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September 1987 |
Self-consistent calculation of the polarizability of small jellium spheres
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December 1984 |
van der Waals interaction as a summable asymptotic series
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December 2012 |
A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections
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May 2006 |
An Assessment of the vdW-TS Method for Extended Systems
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March 2012 |
Electric dipole polarizabilities and C6 dipole-dipole dispersion coefficients for sodium clusters and C60
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September 2006 |
Interfullerene Interaction and Properties of Fullerites
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May 2005 |
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
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June 2016 |
Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: Application to polycyclic aromatic hydrocarbons
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July 2007 |
Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes
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February 2013 |
van der Waals forces in density functional theory: a review of the vdW-DF method
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May 2015 |
Multipolar polarizabilities and two- and three-body dispersion coefficients for alkali isoelectronic sequences
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February 1997 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Nonlocal van der Waals Density Functional Made Simple
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August 2009 |
Adhesion and electronic structure of graphene on hexagonal boron nitride substrates
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November 2011 |
Van der Waals Coefficients for Nanostructures: Fullerenes Defy Conventional Wisdom
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December 2012 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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January 2008 |
The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT Calculations
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October 2011 |
Dynamic Polarizabilities and van der Waals Coefficients
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January 1969 |
Electronic structure and spectroscopy of the five most stable isomers of C78 fullerene
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September 1995 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
A generalized-gradient approximation exchange hole model for dispersion coefficients
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January 2011 |
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
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September 2003 |
The van der Waals interaction of two or three atoms
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August 1966 |
Screened van der Waals correction to density functional theory for solids
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July 2017 |
Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes
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April 2015 |
Quantum Size Effects in the Polarizability of Carbon Fullerenes
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May 2004 |
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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November 2006 |
A benchmark for non-covalent interactions in solids
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August 2012 |
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
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March 1999 |
Stable ( as a giant alkali-metal – atom dimer
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July 1987 |
Complex polarization propagator method for calculation of dispersion coefficients of extended π-conjugated systems: The C6 coefficients of polyacenes and C60
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September 2005 |
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
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February 2009 |
Density‐functional thermochemistry. IV. A new dynamical correlation functional and implications for exact‐exchange mixing
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January 1996 |
Empirical correction to density functional theory for van der Waals interactions
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January 2002 |
Accurate excitation energies of molecules and oligomers from a semilocal density functional
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June 2017 |
An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients
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April 1984 |
Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model
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August 2015 |
Interaction Potential of the Inert Gases
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August 1967 |
Van der Waals density functionals applied to solids
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May 2011 |
Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability
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January 2016 |
Accurate van der Waals coefficients between fullerenes and fullerene-alkali atoms and clusters: Modified single-frequency approximation
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August 2016 |
Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions
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August 2016 |
Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations
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July 2014 |
Non-additivity of polarizabilities and van der Waals C 6 coefficients of fullerenes
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March 2013 |
Quantum dissipation driven by electron transfer within a single molecule investigated with atomic force microscopy
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March 2020 |
Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids
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text
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January 2010 |
Van der Waals density functionals applied to solids
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text
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January 2011 |
Adhesion and electronic structure of graphene on hexagonal boron nitride substrates
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text
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January 2011 |
An exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
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text
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January 2013 |
Strongly Constrained and Appropriately Normed Semilocal Density Functional
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preprint
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January 2015 |
A fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations
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text
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January 2017 |
Climbing the Density Functional Ladder: Non-Empirical Meta-Generalized Gradient Approximation Designed for Molecules and Solids
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text
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January 2003 |
Asymptotics of the dispersion interaction: analytic benchmarks for van der Waals energy functionals
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text
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January 2005 |
Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons
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text
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January 2007 |