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Exchange-hole dipole moment and the dispersion interaction: High-order dispersion coefficients

https://doi.org/10.1063/1.2139668
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Outgoing claims: the papers this work cites, builds on, or argues with.

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The nature of electron correlation in molecules
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The Calculation of Van Der Waals Interactions
inferredcites →https://doi.org/10.1063/1.1884601openalex-snapshot
Exchange-hole dipole moment and the dispersion interaction
inferredcites →https://doi.org/10.1063/1.1949201openalex-snapshot
A post-Hartree–Fock model of intermolecular interactions
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A density-functional model of the dispersion interaction
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Correlated van der Waals coefficients for dimers consisting of He, Ne, H2, and N2
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Numerical solution of Schrödinger’s equation in polyatomic molecules
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Ab initio dispersion coefficients for interactions involving rare-gas atoms
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Classical Electrodynamics (2nd edn)
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A Simplification of the Hartree-Fock Method
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Classical Electrodynamics

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inferred← citeshttps://doi.org/10.1021/ic5006743openalex-snapshot
Unraveling the Polymorphism of [(p-cymene)Ru(κN-INA)Cl2] through Dispersion-Corrected DFT and NMR GIPAW Calculations
inferred← citeshttps://doi.org/10.1021/jacs.4c07821openalex-snapshot
“Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors
inferred← citeshttps://doi.org/10.1021/jacs.5c09212openalex-snapshot
London Dispersion as a Design Element in Molecular Catalysis
inferred← citeshttps://doi.org/10.1021/jp060231dopenalex-snapshot
Comparative DFT Study of van der Waals Complexes: Rare-Gas Dimers, Alkaline-Earth Dimers, Zinc Dimer, and Zinc-Rare-Gas Dimers
inferred← citeshttps://doi.org/10.1021/jp0610416openalex-snapshot
High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers
inferred← citeshttps://doi.org/10.1021/jp073358ropenalex-snapshot
Assessment of the MP2 Method, along with Several Basis Sets, for the Computation of Interaction Energies of Biologically Relevant Hydrogen Bonded and Dispersion Bound Complexes
inferred← citeshttps://doi.org/10.1021/jp0750102openalex-snapshot
Predicting Noncovalent Interactions between Aromatic Biomolecules with London-Dispersion-Corrected DFT
inferred← citeshttps://doi.org/10.1021/jp202560dopenalex-snapshot
Dispersion-Corrected Energy Decomposition Analysis for Intermolecular Interactions Based on the BLW and dDXDM Methods
inferred← citeshttps://doi.org/10.1021/jp205031eopenalex-snapshot
Comparison of Intermolecular Interaction Energies from SAPT and DFT Including Empirical Dispersion Contributions
inferred← citeshttps://doi.org/10.1021/jp305700kopenalex-snapshot
Buckyplates and Buckybowls: Examining the Effects of Curvature on π–π Interactions
inferred← citeshttps://doi.org/10.1021/jp307448nopenalex-snapshot
Characterization of the Dispersion Interactions and an ab Initio Study of van der Waals Potential Energy Parameters for Coinage Metal Clusters
inferred← citeshttps://doi.org/10.1021/jp806619zopenalex-snapshot
Empirical Corrections to Density Functional Theory Highlight the Importance of Nonbonded Intramolecular Interactions in Alkanes
inferred← citeshttps://doi.org/10.1021/jp808767yopenalex-snapshot
Self-Consistent Polarization Density Functional Theory: Application to Argon
inferred← citeshttps://doi.org/10.1021/jp809106bopenalex-snapshot
A Systematic CCSD(T) Study of Long-Range and Noncovalent Interactions between Benzene and a Series of First- and Second-Row Hydrides and Rare Gas Atoms
inferred← citeshttps://doi.org/10.1021/jp8106952openalex-snapshot
Importance of Dispersion and Electron Correlation in ab Initio Protein Folding
inferred← citeshttps://doi.org/10.1021/jp9002005openalex-snapshot
Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors
inferred← citeshttps://doi.org/10.1021/jp9034375openalex-snapshot
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
inferred← citeshttps://doi.org/10.1038/sdata.2018.310openalex-snapshot
PEPCONF, a diverse data set of peptide conformational energies
inferred← citeshttps://doi.org/10.1039/b612585aopenalex-snapshot
Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules
inferred← citeshttps://doi.org/10.1039/b615319bopenalex-snapshot
Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules
inferred← citeshttps://doi.org/10.1039/b718594dopenalex-snapshot
Describing weak interactions of biomolecules with dispersion-corrected density functional theory
inferred← citeshttps://doi.org/10.1039/b810189bopenalex-snapshot
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
inferred← citeshttps://doi.org/10.1039/b902966dopenalex-snapshot
Cis–trans conversion of the CH3S–Au–SCH3 complex on Au(111)
inferred← citeshttps://doi.org/10.1039/b903642copenalex-snapshot
Advances in atomistic simulations of mineral surfaces
inferred← citeshttps://doi.org/10.1039/b919152fopenalex-snapshot
Accurate dispersion interactions from standard density-functional theory methods with small basis sets
inferred← citeshttps://doi.org/10.1039/c3cp54374aopenalex-snapshot
ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy
inferred← citeshttps://doi.org/10.1039/c5sc03234bopenalex-snapshot
Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions
inferred← citeshttps://doi.org/10.1039/c6cp01697aopenalex-snapshot
Screened exchange hybrid density functional for accurate and efficient structures and interaction energies
inferred← citeshttps://doi.org/10.1039/c7cp04825dopenalex-snapshot
The ionic versus metallic nature of 2D electrides: a density-functional description
inferred← citeshttps://doi.org/10.1039/c7fd00155jopenalex-snapshot
Atomic charges of sulfur in ionic liquids: experiments and calculations
inferred← citeshttps://doi.org/10.1039/c9ra03003dopenalex-snapshot
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy
inferred← citeshttps://doi.org/10.1039/d0cp00394hopenalex-snapshot
Including dispersion in density functional theory for adsorption on flat oxide surfaces, in metal–organic frameworks and in acidic zeolites
inferred← citeshttps://doi.org/10.1039/d0cp01213kopenalex-snapshot
What is “many-body” dispersion and should I worry about it?
inferred← citeshttps://doi.org/10.1039/d5cp00214aopenalex-snapshot
Accurate prediction of ionic liquid density-of-states from low-cost calculations
inferred← citeshttps://doi.org/10.1039/d5cp00708aopenalex-snapshot
Spatial and electronic features driving SGLT1/2 selectivity: a combined molecular dynamics and quantum mechanics study
inferred← citeshttps://doi.org/10.1039/d5cp00892aopenalex-snapshot
Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations
inferred← citeshttps://doi.org/10.1039/d5cp01955aopenalex-snapshot
Electronic charge density distortions due to dispersion: physically meaningful DMA multipoles for H 2 , HeH, and He⋯He
inferred← citeshttps://doi.org/10.1039/d6cp02049fopenalex-snapshot
Noble metal intercalation effects on the dehydrogenation of MgH 2 /γ-graphdiyne heterojunctions
inferred← citeshttps://doi.org/10.1063/1.2190220openalex-snapshot
A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections
inferred← citeshttps://doi.org/10.1063/1.2747247openalex-snapshot
Steric effect: A quantitative description from density functional theory
inferred← citeshttps://doi.org/10.1063/1.2749512openalex-snapshot
On the exchange-hole model of London dispersion forces
inferred← citeshttps://doi.org/10.1063/1.2768530openalex-snapshot
A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations
inferred← citeshttps://doi.org/10.1063/1.2795701openalex-snapshot
Exchange-hole dipole moment and the dispersion interaction revisited
inferred← citeshttps://doi.org/10.1063/1.2805391openalex-snapshot
The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy
inferred← citeshttps://doi.org/10.1063/1.2894878openalex-snapshot
A unified density-functional treatment of dynamical, nondynamical, and dispersion correlations. II. Thermochemical and kinetic benchmarks
inferred← citeshttps://doi.org/10.1063/1.2951991openalex-snapshot
Accurate calculation of transport properties for organic molecular semiconductors with spin-component scaled MP2 and modern density functional theory methods
inferred← citeshttps://doi.org/10.1063/1.3077939openalex-snapshot
Derivation of the dispersion energy as an explicit density- and exchange-hole functional
inferred← citeshttps://doi.org/10.1063/1.3126248openalex-snapshot
Accurate interaction energies at density functional theory level by means of an efficient dispersion correction
inferred← citeshttps://doi.org/10.1063/1.3244209openalex-snapshot
Long-range corrected double-hybrid density functionals
inferred← citeshttps://doi.org/10.1063/1.3269802openalex-snapshot
Density functional method including weak interactions: Dispersion coefficients based on the local response approximation
inferred← citeshttps://doi.org/10.1063/1.3282265openalex-snapshot
Van der Waals density functional from multipole dispersion interactions
inferred← citeshttps://doi.org/10.1063/1.3369628openalex-snapshot
Frontiers in electronic structure theory
inferred← citeshttps://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferred← citeshttps://doi.org/10.1063/1.3545971openalex-snapshot
Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
inferred← citeshttps://doi.org/10.1063/1.3545985openalex-snapshot
A generalized-gradient approximation exchange hole model for dispersion coefficients
inferred← citeshttps://doi.org/10.1063/1.3567022openalex-snapshot
Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
inferred← citeshttps://doi.org/10.1063/1.3670015openalex-snapshot
Dependence of dispersion coefficients on atomic environment
inferred← citeshttps://doi.org/10.1063/1.3672236openalex-snapshot
Long-range correlation energies from frequency-dependent weighted exchange-hole dipole polarisabilities
inferred← citeshttps://doi.org/10.1063/1.3676064openalex-snapshot
Atomic volumes and polarizabilities in density-functional theory
inferred← citeshttps://doi.org/10.1063/1.4705760openalex-snapshot
Van der Waals interactions in solids using the exchange-hole dipole moment model
inferred← citeshttps://doi.org/10.1063/1.4738961openalex-snapshot
A benchmark for non-covalent interactions in solids
inferred← citeshttps://doi.org/10.1063/1.4755993openalex-snapshot
Adsorption studies of C6H6 on Cu (111), Ag (111), and Au (111) within dispersion corrected density functional theory
inferred← citeshttps://doi.org/10.1063/1.4767774openalex-snapshot
On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer
inferred← citeshttps://doi.org/10.1063/1.4789421openalex-snapshot
Many-body dispersion interactions from the exchange-hole dipole moment model
inferred← citeshttps://doi.org/10.1063/1.4806436openalex-snapshot
Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods
inferred← citeshttps://doi.org/10.1063/1.4807330openalex-snapshot
Non-covalent interactions and thermochemistry using XDM-corrected hybrid and range-separated hybrid density functionals
inferred← citeshttps://doi.org/10.1063/1.4867195openalex-snapshot
How important is self-consistency for the dDsC density dependent dispersion correction?
inferred← citeshttps://doi.org/10.1063/1.4869598openalex-snapshot
Perspective: Fifty years of density-functional theory in chemical physics
inferred← citeshttps://doi.org/10.1063/1.4873421openalex-snapshot
Terahertz spectroscopy and solid-state density functional theory calculation of anthracene: Effect of dispersion force on the vibrational modes
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