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JuNoLo – Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy
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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/jcc.20495openalex-snapshot
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
inferredcites →https://doi.org/10.1002/qua.20315openalex-snapshot
Van der Waals density functional theory with applications
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: The case of rare gas complexes
inferredcites →https://doi.org/10.1063/1.2977789openalex-snapshot
Developing the random phase approximation into a practical post-Kohn–Sham correlation model
inferredcites →https://doi.org/10.1063/1.3079684openalex-snapshot
Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism
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Structure and dynamics of Xe monolayers adsorbed on Cu(111) and Pt(111) surfaces studied in the density functional approach
inferredcites →https://doi.org/10.1088/0953-8984/21/8/084203openalex-snapshot
A density functional for sparse matter
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Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)
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Proposal for a modified Møller-Plesset perturbation theory
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevb.72.245407openalex-snapshot
Role of van der Waals interactions in adsorption of Xe on Cu(111) and Pt(111)
inferredcites →https://doi.org/10.1103/physrevb.76.125112openalex-snapshot
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
inferredcites →https://doi.org/10.1103/physrevb.77.045136openalex-snapshot
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
inferredcites →https://doi.org/10.1103/physrevb.77.121404openalex-snapshot
Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory
inferredcites →https://doi.org/10.1103/physrevlett.100.053002openalex-snapshot
Van der Waals Interactions in DFT Made Easy by Wannier Functions
inferredcites →https://doi.org/10.1103/physrevlett.102.136809openalex-snapshot
Chemical versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C6H6 , C5NH5 , and C4N2H4 on the Cu(110) Surface
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.80.890openalex-snapshot
Comment on “Generalized Gradient Approximation Made Simple”
inferredcites →https://doi.org/10.1103/physrevlett.90.066104openalex-snapshot
Adsorption of Xe Atoms on Metal Surfaces: New Insights from First-Principles Calculations
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.98.176103openalex-snapshot
Towards an Exact Treatment of Exchange and Correlation in Materials: Application to the “CO Adsorption Puzzle” and Other Systems
inferredcites →https://doi.org/10.1103/physrevlett.99.169903openalex-snapshot
Erratum: Towards an Exact Treatment of Exchange and Correlation in Materials: Application to the “CO Adsorption Puzzle” and Other Systems [Phys. Rev. Lett.98, 176103 (2007)]
inferredcites →https://doi.org/10.1103/physrevlett.99.176401openalex-snapshot
Importance of Van Der Waals Interaction for Organic Molecule-Metal Junctions: Adsorption of Thiophene on Cu(110) as a Prototype
inferredcites →https://doi.org/10.1103/revmodphys.79.1381openalex-snapshot
Progress in the measurement and modeling of physisorbed layers
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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When Water Plays an Active Role in Electronic Structure. Insights from First-Principles Molecular Dynamics Simulations of Biological Systems
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When Water Plays an Active Role in Electronic Structure: Insights from First-Principles Molecular Dynamics Simulations of Biological Systems
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Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study
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Van der Waals density functional calculations of binding in molecular crystals
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noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique
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Large-Area Epitaxial Monolayer MoS2
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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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Adsorption of Thiophene-Conjugated Sensitizers on TiO2 Anatase (101)
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Interaction of Graphene and Arenes with Noble Metals
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Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals
inferred← citeshttps://doi.org/10.1021/jp506158copenalex-snapshot
Periodic DFT Study of Benzene Adsorption on Pd(100) and Pd(110) at Medium and Saturation Coverage
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Above-room-temperature ferroelectricity in a single-component molecular crystal
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The mechanism of caesium intercalation of graphene
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On the physisorption of water on graphene: a CCSD(T) study
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Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples
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Structural, elastic, and vibrational properties of layered titanium dichalcogenides: A van der Waals density functional study
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Nonlocal van der Waals functionals: The case of rare-gas dimers and solids
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Ab initio studies of propane dehydrogenation to propene with graphene
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Chemical accuracy for the van der Waals density functional
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Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
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Ab initioand semi-empirical van der Waals study of graphene–boron nitride interaction from a molecular point of view
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Rationale for switching to nonlocal functionals in density functional theory
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Spin polarization of Co(0001)/graphene junctions from first principles
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Graphene on the Ir(111) surface: from van der Waals to strong bonding
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Tuning the topological band gap of bismuthene with silicon-based substrates
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Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)
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Semiempirical van der Waals interactions versusab initiononlocal correlation effects in the thiophene-Cu(111) system
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Harris-type van der Waals density functional scheme
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Graphene spintronics: Spin injection and proximity effects from first principles
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Li adsorption versus graphene intercalation on Ir(111): From quenching to restoration of the Ir surface state
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Simple way to apply nonlocal van der Waals functionals within all-electron methods
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Graphene on Ir(111): Physisorption with Chemical Modulation
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Electron-Stimulated Desorption of Cesium Atoms from Graphene to Iridium Intercalated and not Intercalated with Cesium
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Theoretical Simulations of Reactive and Nonreactive Scattering of Light Diatomic Molecules from Metal Surfaces: Past, Present, and Future
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Epitaxial growth of graphene thin films on single crystal metal surfaces
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Nonlocal van der Waals functionals: The case of rare-gas dimers and solids
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Improving the Description of Nonmagnetic and Magnetic Molecular Crystals via the van der Waals Density Functional
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