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Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/qua.20315openalex-snapshot
Van der Waals density functional theory with applications
inferredcites →https://doi.org/10.1002/qua.560382450openalex-snapshot
Reliable isotropic and anisotropic dipolar dispersion energies, evaluated using constrained dipole oscillator strength techniques, with application to interactions involving H2, N2, and the rare gases
inferredcites →https://doi.org/10.1007/bf02422717openalex-snapshot
Single-particle spectrum of the degenerate electron gas
inferredcites →https://doi.org/10.1016/0009-2614(87)80935-1openalex-snapshot
Pulsed molecular beam infrared absorption spectroscopy of CO2 dimer
inferredcites →https://doi.org/10.1016/0301-0104(80)80033-4openalex-snapshot
Isotropic C6, C8 and C10 interaction coefficients for CH4, C2H6, C3H8, n-C4H10 and cyclo-C3H6
inferredcites →https://doi.org/10.1016/0301-0104(82)85033-7openalex-snapshot
Dipole oscillator strength distributions, sums, and dispersion energy coefficients for CO and CO2
inferredcites →https://doi.org/10.1016/0301-0104(84)80073-7openalex-snapshot
Pseudo-spectral dipole oscillator-strength distributions for SO2, CS2 and OCS and values of some related dipole—dipole and triple-dipole dispersion energy constants
inferredcites →https://doi.org/10.1016/0301-0104(94)00309-2openalex-snapshot
Reliable isotropic and anisotropic dipole properties, and dipolar dispersion energy coefficients, for CO evaluated using constrained dipole oscillator strength techniques
inferredcites →https://doi.org/10.1016/c2013-0-02436-xopenalex-snapshot
Theory of Intermolecular Forces
inferredcites →https://doi.org/10.1021/ct050166wopenalex-snapshot
Slater's Exchange Parameters α for Analytic and Variational Xα Calculations
inferredcites →https://doi.org/10.1021/jp994408yopenalex-snapshot
The Equilibrium Structure of Benzene
inferredcites →https://doi.org/10.1039/b517914aopenalex-snapshot
Advances in methods and algorithms in a modern quantum chemistry program package
inferredcites →https://doi.org/10.1063/1.1543944openalex-snapshot
The van der Waals potentials between all the rare gas atoms from He to Rn
inferredcites →https://doi.org/10.1063/1.1668634openalex-snapshot
Assessment and validation of a screened Coulomb hybrid density functional
inferredcites →https://doi.org/10.1063/1.2409292openalex-snapshot
Assessment of a long-range corrected hybrid functional
inferredcites →https://doi.org/10.1063/1.2761808openalex-snapshot
Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials
inferredcites →https://doi.org/10.1063/1.2921797openalex-snapshot
Generalized gradient approximation model exchange holes for range-separated hybrids
inferredcites →https://doi.org/10.1063/1.2948400openalex-snapshot
Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set
inferredcites →https://doi.org/10.1063/1.458394openalex-snapshot
Rotationally resolved ultraviolet spectrum of the benzene–Ar complex by mass-selected resonance-enhanced two-photon ionization
inferredcites →https://doi.org/10.1063/1.470812openalex-snapshot
Unambiguous assignment of the van der Waals modes of benzene–Ar by analysis of the rotationally resolved UV-spectra and comparison with multidimensional calculations
inferredcites →https://doi.org/10.1063/1.476730openalex-snapshot
Intermolecular interaction potential of the carbon dioxide dimer
inferredcites →https://doi.org/10.1071/ch03050openalex-snapshot
The Dissociation Energy of the Benzene–Argon van der Waals Complex Determined by Velocity Map Imaging
inferredcites →https://doi.org/10.1080/00268970210162682openalex-snapshot
Dipole oscillator strength properties and dispersion energies for CI 2
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1080/00268978500103191openalex-snapshot
Pseudo-spectral dipole oscillator strengths and dipole-dipole and triple-dipole dispersion energy coefficients for HF, HCl, HBr, He, Ne, Ar, Kr and Xe
inferredcites →https://doi.org/10.1080/00268978600101431openalex-snapshot
The carbon dioxide molecule
inferredcites →https://doi.org/10.1088/0953-4075/34/12/302openalex-snapshot
Dynamic dipole polarizabilities for the ground 41S and the low-lying 41,3P and 51,3S excited states of Zn. Calculation of long-range coefficients of Zn2
inferredcites →https://doi.org/10.1103/physrev.81.385openalex-snapshot
A Simplification of the Hartree-Fock Method
inferredcites →https://doi.org/10.1103/physreva.54.2824openalex-snapshot
Variational calculations of dispersion coefficients for interactions among H, He, and Li atoms
inferredcites →https://doi.org/10.1103/physreva.68.052714openalex-snapshot
Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms
inferredcites →https://doi.org/10.1103/physrevb.62.6997openalex-snapshot
Tractable nonlocal correlation density functionals for flat surfaces and slabs
inferredcites →https://doi.org/10.1103/physrevlett.76.102openalex-snapshot
van der Waals Interactions in Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.76.1780openalex-snapshot
Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.78.1396openalex-snapshot
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
inferredcites →https://doi.org/10.1103/physrevlett.80.890openalex-snapshot
Comment on “Generalized Gradient Approximation Made Simple”
inferredcites →https://doi.org/10.1103/physrevlett.91.126402openalex-snapshot
Van der Waals Density Functional for Layered Structures
inferredcites →https://doi.org/10.1103/physrevlett.92.246401openalex-snapshot
Van der Waals Density Functional for General Geometries
inferredcites →https://doi.org/10.1103/physrevlett.95.109902openalex-snapshot
Erratum: Van der Waals Density Functional for General Geometries [Phys. Rev. Lett.92, 246401 (2004)]
inferredcites →https://doi.org/10.1103/physrevlett.96.073201openalex-snapshot
Asymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy Functionals
inferredcites →https://doi.org/10.1103/physrevlett.99.166401openalex-snapshot
van der Waals Interactions between Thin Metallic Wires and Layers
inferredcites →https://doi.org/10.1201/9781315380476openalex-snapshot
CRC Handbook of Chemistry and Physics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Noncovalent Interactions in Density Functional Theory
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Recent development of atom‐pairwise van der waals corrections for density functional theory: From molecules to solids
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Density Functional Theory: Foundations
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The Kohn–Sham Auxiliary System
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Functionals for Exchange and Correlation I
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Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
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Local response dispersion method. II. Generalized multicenter interactions
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Nonlocal van der Waals density functional: The simpler the better
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Dispersion interactions in density-functional theory: An adiabatic-connection analysis
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A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications
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Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory
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A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
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Discrete variable representation in electronic structure theory: Quadrature grids for least-squares tensor hypercontraction
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Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V
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Extension of the D3 dispersion coefficient model
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A generally applicable atomic-charge dependent London dispersion correction
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Off-the-shelf DFT-DISPersion methods: Are they now “on-trend” for organic molecular crystals?
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Exploring a near-Hartree–Fock–Kohn–Sham approach to study electronic properties of azobenzene in interaction with gold: From clusters to the Au(111) surface
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Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene
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Charge-transfer energy through the dipole moment
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Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions
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Doubly hybrid density functional for accurate description of thermochemistry, thermochemical kinetics and nonbonded interactions
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van der Waals forces in density functional theory: a review of the vdW-DF method
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Calculation of dispersion energies
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Simplified DFT methods for consistent structures and energies of large systems
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Van der Waals density functional for molecular crystals
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Dispersion interactions from a local polarizability model
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Symmetric two-point weighted density approximation for exchange energies
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Charge quenching at defect states in transition metal dichalcogenide–graphene van der Waals heterobilayers
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Structural, electronic, and magnetic properties of iron carbide Fe 7 C 3 phases from first-principles theory
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Higher-accuracy van der Waals density functional
inferred← citeshttps://doi.org/10.1103/physrevb.86.165109openalex-snapshot
van der Waals density functional for solids
inferred← citeshttps://doi.org/10.1103/physrevb.87.205421openalex-snapshot
Analysis of van der Waals density functional components: Binding and corrugation of benzene and C 60 on boron nitride and graphene
inferred← citeshttps://doi.org/10.1103/physrevb.88.045431openalex-snapshot
Harris-type van der Waals density functional scheme
inferred← citeshttps://doi.org/10.1103/physrevb.89.035412openalex-snapshot
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
inferred← citeshttps://doi.org/10.1103/physrevb.90.075414openalex-snapshot
Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)
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Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals
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van der Waals density functional with corrected C6 coefficients
inferred← citeshttps://doi.org/10.1103/physrevlett.103.063004openalex-snapshot
Nonlocal van der Waals Density Functional Made Simple
inferred← citeshttps://doi.org/10.1103/physrevlett.104.099304openalex-snapshot
Vydrov and Van Voorhis Reply:
inferred← citeshttps://doi.org/10.1103/physrevlett.122.213001openalex-snapshot
Dispersion Energy from Local Polarizability Density
inferred← citeshttps://doi.org/10.1143/jpsj.79.074701openalex-snapshot
Van der Waals Interactions for Isolated Systems Calculated Using Density Functional Theory within Plasmon-Pole Approximation
inferred← citeshttps://doi.org/10.1209/0295-5075/109/43002openalex-snapshot
Long-range interaction of anisotropic systems
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First-principles modeling of molecular switches at surfaces
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Including van der Waals interactions in first-principles electronic structure calculations
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-xgr3qopenalex-snapshot
Density functional theory for van der Waals complexes: Size matters
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-xgr3q-v2openalex-snapshot
Density functional theory for van der Waals complexes: Size matters
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Density functional theory for van der Waals complexes: Size matters
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An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
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The Strong Interaction Limit of the Møller-Plesset Adiabatic Connection
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Molecular simulation of the genesis of supported Pt catalytic active phases
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