On the public citation graph

Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds in Rare-Gas and Alkaline-Earth Diatomics

0 signed · 126 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.20078openalex-snapshot

Accurate description of van der Waals complexes by density functional theory including empirical corrections

inferredcites →https://doi.org/10.1002/qua.20305openalex-snapshot

Energies of organic molecules and atoms in density functional theory

inferredcites →https://doi.org/10.1002/qua.20314openalex-snapshot

Soft cohesive forces

inferredcites →https://doi.org/10.1002/qua.20315openalex-snapshot

Van der Waals density functional theory with applications

inferredcites →https://doi.org/10.1007/s002140000163openalex-snapshot

Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures

inferredcites →https://doi.org/10.1016/0009-2614(84)80339-5openalex-snapshot

Electronic structure and bonding of Be2

inferredcites →https://doi.org/10.1016/0009-2614(89)80052-1openalex-snapshot

The beryllium dimer potential

inferredcites →https://doi.org/10.1016/0009-2614(94)01027-7openalex-snapshot

Can (semi)local density functional theory account for the London dispersion forces?

inferredcites →https://doi.org/10.1016/0009-2614(94)01402-hopenalex-snapshot

A density-functional study of van der Waals forces: rare gas diatomics

inferredcites →https://doi.org/10.1016/0009-2614(96)00672-0openalex-snapshot

High-quality theoretical potential energy surface for Be2 by using the multireference averaged quadratic coupled-cluster (MR-AQCC) method and large basis sets

inferredcites →https://doi.org/10.1016/0022-2860(92)87094-copenalex-snapshot

Potential-energy functions of diatomic molecules of the noble gases I. Like nuclear species

inferredcites →https://doi.org/10.1016/0301-0104(94)00103-0openalex-snapshot

Full configuration interaction calculations on Be2

inferredcites →https://doi.org/10.1016/j.cplett.2004.07.029openalex-snapshot

Application of 25 density functionals to dispersion-bound homomolecular dimers

inferredcites →https://doi.org/10.1016/j.cplett.2004.11.092openalex-snapshot

Reply to comment on ‘Application of 25 density functionals to dispersion-bound homomolecular dimers’ [Chem. Phys. Lett. 394 (2004) 334–338]

inferredcites →https://doi.org/10.1016/s0166-1280(02)00096-9openalex-snapshot

Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates

inferredcites →https://doi.org/10.1016/s0166-1280(99)00235-3openalex-snapshot

An accurate density functional method for the study of magnetic properties: the PBE0 model

inferredcites →https://doi.org/10.1021/ct049851dopenalex-snapshot

Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory

inferredcites →https://doi.org/10.1021/ja048436sopenalex-snapshot

Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs

inferredcites →https://doi.org/10.1021/jp0469517openalex-snapshot

Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations

inferredcites →https://doi.org/10.1021/jp047428vopenalex-snapshot

Assessment of Handy−Cohen Optimized Exchange Density Functional (OPTX)

inferredcites →https://doi.org/10.1021/jp050932vopenalex-snapshot

Multicoefficient Extrapolated Density Functional Theory Studies of π···π Interactions: The Benzene Dimer

inferredcites →https://doi.org/10.1039/b007869gopenalex-snapshot

Theoretical study on clusters of magnesium

inferredcites →https://doi.org/10.1063/1.1344891openalex-snapshot

Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model

inferredcites →https://doi.org/10.1063/1.1412004openalex-snapshot

Towards extending the applicability of density functional theory to weakly bound systems

inferredcites →https://doi.org/10.1063/1.1424928openalex-snapshot

Empirical correction to density functional theory for van der Waals interactions

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/10.1063/1.1626543openalex-snapshot

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

inferredcites →https://doi.org/10.1063/1.1665298openalex-snapshot

Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional

inferredcites →https://doi.org/10.1063/1.1862242openalex-snapshot

Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers

inferredcites →https://doi.org/10.1063/1.454511openalex-snapshot

A study of the Be2 potential curve using the full (CCSDT) coupled-cluster method: The importance of T4 clusters

inferredcites →https://doi.org/10.1063/1.464758openalex-snapshot

A study of O3, S3, CH2, and Be2 using Kohn–Sham theory with accurate quadrature and large basis sets

inferredcites →https://doi.org/10.1063/1.475105openalex-snapshot

Describing van der Waals Interaction in diatomic molecules with generalized gradient approximations: The role of the exchange functional

inferredcites →https://doi.org/10.1063/1.478401openalex-snapshot

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

inferredcites →https://doi.org/10.1063/1.478522openalex-snapshot

Toward reliable density functional methods without adjustable parameters: The PBE0 model

inferredcites →https://doi.org/10.1073/pnas.0308730100openalex-snapshot

The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

inferredcites →https://doi.org/10.1093/oso/9780198551669.003.0001openalex-snapshot

Electronic Structure of Solids

inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

Density-functional exchange-energy approximation with correct asymptotic behavior

inferredcites →https://doi.org/10.1103/physreva.56.r2495openalex-snapshot

Application of the generalized-gradient approximation to rare-gas dimers

inferredcites →https://doi.org/10.1103/physreva.70.012502openalex-snapshot

Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functionals

inferredcites →https://doi.org/10.1103/physrevb.69.075102openalex-snapshot

Tests of a ladder of density functionals for bulk solids and surfaces

inferredcites →https://doi.org/10.1103/physrevb.71.195119openalex-snapshot

Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.5281/zenodo.22974111zenodo-depositor-declared

inferred← citeshttps://doi.org/10.1002/0470862106.ia615openalex-snapshot

Approximate Density Functionals: Which Should I Choose?

inferred← citeshttps://doi.org/10.1002/9781119951438.eibc0380openalex-snapshot

Approximate Density Functionals: Which Should I Choose?

inferred← citeshttps://doi.org/10.1002/9783527625482.ch1openalex-snapshot

From Hartree–Fock to Electron Correlation: Application to Magnetic Systems

inferred← citeshttps://doi.org/10.1002/cphc.200900523openalex-snapshot

STM and DFT Investigations of Isolated Porphyrin on a Silicon‐Based Semiconductor at Room Temperature

inferred← citeshttps://doi.org/10.1002/jcc.21069openalex-snapshot

Application of semiempirical long‐range dispersion corrections to periodic systems in density functional theory

inferred← citeshttps://doi.org/10.1002/jcc.26017openalex-snapshot

Comparative study of density functionals for the description of lithium‐graphite intercalation compounds

inferred← citeshttps://doi.org/10.1002/poc.1606openalex-snapshot

Dispersion interactions in density‐functional theory

inferred← citeshttps://doi.org/10.1002/wcms.30openalex-snapshot

Density functional theory with London dispersion corrections

inferred← citeshttps://doi.org/10.1007/1-4020-5372-x_2openalex-snapshot

Hohenberg-Kohn-Sham Density Functional Theory

inferred← citeshttps://doi.org/10.1007/128_2015_625openalex-snapshot

Short-Range Cut-Off of the Summed-Up van der Waals Series: Rare-Gas Dimers

inferred← citeshttps://doi.org/10.1007/s00214-013-1335-yopenalex-snapshot

Dispersion-corrected Rung 3.5 density functionals

inferred← citeshttps://doi.org/10.1007/s00214-018-2202-7openalex-snapshot

Long-range exchange limit and dispersion in pure silica zeolites

inferred← citeshttps://doi.org/10.1007/s11182-019-01718-8openalex-snapshot

Nucleation of Sodium in a Plasma Stream with Neon

inferred← citeshttps://doi.org/10.1007/s42493-018-00001-1openalex-snapshot

Molecular Dynamics Simulations with ab Initio Force Fields: A Review of Case Studies on CH4, CCl4, CHF3, and CHCl3 Dimers

inferred← citeshttps://doi.org/10.1016/j.actamat.2016.01.026openalex-snapshot

Contribution of van der Waals forces to the plasticity of magnesium

inferred← citeshttps://doi.org/10.1016/j.comptc.2013.06.030openalex-snapshot

Hexamers and witchamers: Which hex do you choose?

inferred← citeshttps://doi.org/10.1016/j.cplett.2007.11.095openalex-snapshot

Testing the combination of Hartree–Fock exchange and Wilson–Levy correlation for weakly bonded extended systems

inferred← citeshttps://doi.org/10.1016/j.cplett.2010.08.049openalex-snapshot

Application of an empirical dispersion potential to van der Waals binding in nitromethane, pentaerythritol, and pentaerythritol tetranitrate

inferred← citeshttps://doi.org/10.1016/j.jcat.2011.10.018openalex-snapshot

A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler–Natta catalysts – 1: TiCl4 adsorption on MgCl2 crystal surfaces

inferred← citeshttps://doi.org/10.1016/j.jcomc.2021.100184openalex-snapshot

Elastic properties of heterodesmic composite structures: The case of calcite CaCO3 (space group R 3 ¯ c )

inferred← citeshttps://doi.org/10.1016/j.jmst.2021.11.026openalex-snapshot

Hierarchical Ti3C2T@MoS2 heterostructures: A first principles calculation and application in corrosion/wear protection

inferred← citeshttps://doi.org/10.1016/j.poly.2025.117678openalex-snapshot

Rare-gas excimers and exciplexes: Surprising challenges for time-dependent Density Functional Theory approaches

inferred← citeshttps://doi.org/10.1016/j.theochem.2006.10.011openalex-snapshot

Calculating gas phase energies of an α(1–4) linked disaccharide: electronic structure theory and classical atomistic simulation

inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00533openalex-snapshot

Dispersion-Corrected Mean-Field Electronic Structure Methods

inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00078openalex-snapshot

Statistical Analysis of Semiclassical Dispersion Corrections

inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00627openalex-snapshot

Gaussian Process-Based Refinement of Dispersion Corrections

inferred← citeshttps://doi.org/10.1021/acs.jpclett.8b03846openalex-snapshot

Weak Interactions in Alkaline Earth Metal Dimers by Pair-Density Functional Theory

inferred← citeshttps://doi.org/10.1021/cg501783dopenalex-snapshot

Halogen Bonded Three-Dimensional Uranyl–Organic Compounds with Unprecedented Halogen–Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution

inferred← citeshttps://doi.org/10.1021/cr1000173openalex-snapshot

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

inferred← citeshttps://doi.org/10.1021/ct100488vopenalex-snapshot

Global Hybrid Functionals: A Look at the Engine under the Hood

inferred← citeshttps://doi.org/10.1021/ct300868xopenalex-snapshot

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

inferred← citeshttps://doi.org/10.1021/ct4003948openalex-snapshot

A Caveat on SCC-DFTB and Noncovalent Interactions Involving Sulfur Atoms

inferred← citeshttps://doi.org/10.1021/ct501050sopenalex-snapshot

Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

inferred← citeshttps://doi.org/10.1021/ct6002719openalex-snapshot

Density Functionals for Noncovalent Interaction Energies of Biological Importance

inferred← citeshttps://doi.org/10.1021/ct700062xopenalex-snapshot

An Investigation of the Accuracy of Different DFT Functionals on the Water Exchange Reaction in Hydrated Uranyl(VI) in the Ground State and the First Excited State

inferred← citeshttps://doi.org/10.1021/ct800003nopenalex-snapshot

Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory

inferred← citeshttps://doi.org/10.1021/ct8004479openalex-snapshot

Evaluation of Density Functionals and Basis Sets for Carbohydrates

inferred← citeshttps://doi.org/10.1021/ct800522ropenalex-snapshot

Van der Waals Interactions in Density-Functional Theory: Rare-Gas Diatomics

inferred← citeshttps://doi.org/10.1021/ct9002509openalex-snapshot

Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory

inferred← citeshttps://doi.org/10.1021/ct900333copenalex-snapshot

Benchmark Data for Noncovalent Interactions in HCOOH···Benzene Complexes and Their Use for Validation of Density Functionals

inferred← citeshttps://doi.org/10.1021/ct900536nopenalex-snapshot

Applications of Screened Hybrid Density Functionals with Empirical Dispersion Corrections to Rare Gas Dimers and Solids

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/jp0752973openalex-snapshot

Intermolecular Potentials of the Silane Dimer Calculated with Hartree−Fock Theory, Møller−Plesset Perturbation Theory, and Density Functional Theory

inferred← citeshttps://doi.org/10.1021/jp103942nopenalex-snapshot

Carbon−Chlorine Bond Scission in Li-Doped Single-Walled Carbon Nanotubes: Reaction of CH3Cl and Lithium

inferred← citeshttps://doi.org/10.1021/jp200487sopenalex-snapshot

Argon Solvent Effects on Optical Properties of Silver Metal Clusters

inferred← citeshttps://doi.org/10.1021/jp309185hopenalex-snapshot

Application of Screened Hybrid Density Functional Theory to Ammonia Decomposition on Silicon

inferred← citeshttps://doi.org/10.1021/jp507711topenalex-snapshot

Error Accumulations in Adhesive Energies of Dihydrogen Molecular Chains: Performances of the XYG3 Type of Doubly Hybrid Density Functionals

inferred← citeshttps://doi.org/10.1039/b608262aopenalex-snapshot

Treating dispersion effects in extended systems by hybrid MP2:DFT calculations—protonation of isobutene in zeolite ferrierite

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/c0cp02042gopenalex-snapshot

A periodic mixed gaussians–plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization

inferred← citeshttps://doi.org/10.1039/c0jm02481copenalex-snapshot

A DFT exploration of the organization of thiols on Au(111): a route to self-assembled monolayer of magnetic molecules

inferred← citeshttps://doi.org/10.1039/c2cp23673gopenalex-snapshot

Correction to DFT interaction energies by an empirical dispersion term valid for a range of intermolecular distances

inferred← citeshttps://doi.org/10.1039/c4cp01587hopenalex-snapshot

Ab initio theoretical investigation of beryllium and beryllium hydride nanoparticles and nanocrystals with implications for the corresponding infinite systems

inferred← citeshttps://doi.org/10.1039/c5cp06317eopenalex-snapshot

The van der Waals interactions in rare-gas dimers: the role of interparticle interactions

inferred← citeshttps://doi.org/10.1039/d0cp05977copenalex-snapshot

Theoretical understanding of the properties of stepped iron surfaces with van der Waals interaction corrections

inferred← citeshttps://doi.org/10.1063/1.2180774openalex-snapshot

Assessing a new nonempirical density functional: Difficulties in treating π-conjugation effects

inferred← citeshttps://doi.org/10.1063/1.2345198openalex-snapshot

Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory

inferred← citeshttps://doi.org/10.1063/1.2356467openalex-snapshot

Potential energy surfaces for small alcohol dimers I: Methanol and ethanol

inferred← citeshttps://doi.org/10.1063/1.2387954openalex-snapshot

Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals

inferred← citeshttps://doi.org/10.1063/1.2431644openalex-snapshot

London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: The case of rare gas complexes

inferred← citeshttps://doi.org/10.1063/1.2566637openalex-snapshot

Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+

inferred← citeshttps://doi.org/10.1063/1.2948400openalex-snapshot

Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set

inferred← citeshttps://doi.org/10.1063/1.3177061openalex-snapshot

Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes

inferred← citeshttps://doi.org/10.1063/1.3282265openalex-snapshot

Van der Waals density functional from multipole dispersion interactions

inferred← citeshttps://doi.org/10.1063/1.3382344openalex-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/10.1063/1.3672236openalex-snapshot

Long-range correlation energies from frequency-dependent weighted exchange-hole dipole polarisabilities

inferred← citeshttps://doi.org/10.1063/1.4727850openalex-snapshot

A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications

inferred← citeshttps://doi.org/10.1063/1.4752396openalex-snapshot

Comparison of the performance of exact-exchange-based density functional methods

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/10.1063/1.4908134openalex-snapshot

Non-pairwise additivity of the leading-order dispersion energy

inferred← citeshttps://doi.org/10.1063/1.5032175openalex-snapshot

Geometry optimisations with a nonlocal density-functional theory method based on a double Hirshfeld partitioning

inferred← citeshttps://doi.org/10.1088/0953-8984/24/16/165501openalex-snapshot

Boron nitride nanotubes as templates for half-metal nanowires

inferred← citeshttps://doi.org/10.1088/1742-6596/117/1/012007openalex-snapshot

A local MP2 periodic study of crystalline argon

inferred← citeshttps://doi.org/10.1088/2516-1075/ac0806openalex-snapshot

Diffusion quantum Monte Carlo study of argon dimer

inferred← citeshttps://doi.org/10.1103/physreva.76.042506openalex-snapshot

One-parameter optimization of a nonempirical meta-generalized-gradient-approximation for the exchange-correlation energy

inferred← citeshttps://doi.org/10.1103/physreva.89.053409openalex-snapshot

Core photoionization of the argon dimer in the photon-energy range of 255–340 eV studied by a photoelectron-photoion-photoion coincidence technique

inferred← citeshttps://doi.org/10.1103/physrevb.111.155133openalex-snapshot

Meta-GGA that describes weak interactions in addition to bond energies and band gaps

inferred← citeshttps://doi.org/10.1103/physrevb.73.205104openalex-snapshot

Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy

inferred← citeshttps://doi.org/10.1103/physrevb.75.155109openalex-snapshot

Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

inferred← citeshttps://doi.org/10.1103/physrevb.79.245404openalex-snapshot

Density functional theory study of the iron-based porphyrin haem(b) on the Si(111):H surface

inferred← citeshttps://doi.org/10.19113/sdufbed.76392openalex-snapshot

Selection of an Appropriate Basis Set for Accurate Description of Binding Energy: A First Principles Study

inferred← citeshttps://doi.org/10.2138/rmg.2010.71.1openalex-snapshot

Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists

inferred← citeshttps://doi.org/10.70675/5ef41d09za782z4d92za576z0722afde46bbopenalex-snapshot

Etude théorique de réactions de couplage catalysées par des métaux de transition

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.