Bengt I. Lundqvist
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(Suggest an Edit or Addition)Bengt I. Lundqvist's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- van der Waals density functional for general geometries. (2004) (3955)
- Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism (1976) (2464)
- Explicit local exchange-correlation potentials (1971) (1914)
- Higher-accuracy van der Waals density functional (2010) (1846)
- Quantum origin of the oxygen storage capability of ceria. (2002) (597)
- van der Waals forces in density functional theory: a review of the vdW-DF method (2014) (519)
- Van der Waals density functional for layered structures. (2003) (509)
- Single-Molecule Dissociation by Tunneling Electrons (1997) (490)
- A density functional for sparse matter (2009) (425)
- Descriptions of exchange and correlation effects in inhomogeneous electron systems (1979) (338)
- Erratum: Van der Waals Density Functional for General Geometries [Phys. Rev. Lett. 92, 246401 (2004)] (2005) (317)
- Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite. (2006) (314)
- Secondary-ion emission probability in sputtering (1979) (293)
- Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles - art. no. 115108 (2001) (292)
- Van der Waals Density Functional Theory with Applications (2005) (286)
- Adsorption and Dissociation ofH2on Mg Surfaces (1981) (184)
- Contribution to the cohesive energy of simple metals: Spin-dependent effect (1974) (164)
- Stacking interactions and the twist of DNA. (2008) (162)
- Peierls barriers and stresses for edge dislocations in Pd and Al calculated from first principles (1998) (157)
- Single-particle spectrum of the degenerate electron gas (1967) (129)
- Theoretical description of molecule-metal interaction and surface reactions (1979) (128)
- Photon and electron emission as indicators of intermediate states in surface reactions (1979) (127)
- Elastic and optical properties of alpha- and kappa-Al2O3 (1999) (123)
- Molecular orbital description of surface chemiluminescence (1979) (118)
- Tractable nonlocal correlation density functionals for flat surfaces and slabs (2000) (112)
- Stacking interactions and DNA intercalation. (2009) (111)
- THEORY OF ATOM TRANSFER WITH A SCANNING TUNNELING MICROSCOPE (1997) (110)
- First-principles density-functional study of metal-carbonitride interface adhesion: Co/TiC(001) and Co/TiN(001) (2001) (107)
- Correlation between sticking probability and adsorbate-induced electron structure (1979) (104)
- van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions. (2014) (100)
- Surface properties of metastable alumina: A comparative study of κ- and α-Al2O3 (2003) (94)
- Density functional study of the adsorption and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS(2). (2009) (93)
- Binding Energies for Different Adsorption Sites of Hydrogen on Simple Metals (1976) (92)
- Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure (2006) (91)
- Some Numerical Results on Quasiparticle Properties in the Electron Gas (1969) (91)
- Adiabatic potential-energy surfaces for oxygen on Al(111) (2002) (88)
- Wetting of TiC and TiN by metals (2004) (88)
- Exchange and correlation in inhomogeneous electron systems (1977) (86)
- Potential--energy surfaces for excited states in extended systems. (2004) (85)
- Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like. (2011) (85)
- Exchange and correlation in atoms, molecules and solids (1976) (85)
- From electronic structure to catalytic activity: a single descriptor for adsorption and reactivity on transition-metal carbides. (2009) (84)
- Density functional theory including Van Der Waals forces (1995) (83)
- First-principles study of surface and subsurface O structures at Al(111) (2001) (83)
- UNIFIED TREATMENT OF ASYMPTOTIC VAN DER WAALS FORCES (1998) (80)
- Adsorption of phenol on graphite(0001) and α-Al2O3(0001): Nature of van der Waals bonds from first-principles calculations (2006) (76)
- Origin of Compact Triangular Islands in Metal-on-Metal Growth (1999) (76)
- LOCAL EXCHANGE-CORRELATION POTENTIALS (1971) (74)
- Theoretical Structure Determination of a Complex Material: κ-Al2O3 (2004) (72)
- Single-particle spectrum of the degenerate electron gas (1967) (70)
- LOW-SYMMETRY DIFFUSION BARRIERS IN HOMOEPITAXIAL GROWTH OF AL(111) (1998) (68)
- Hard numbers on soft matter (2003) (68)
- First-principles diffusion-barrier calculation for atomic oxygen on Pt(111) (1998) (65)
- Atomic switch proves importance of electron-hole pair mechanism in processes on metal surfaces (1992) (65)
- Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces (2012) (61)
- New structure in the single-particle spectrum of an electron gas (1967) (59)
- NO oxidation properties of Pt(111) revealed by ab initio kinetic simulations (2005) (59)
- Nature of adsorption on TiC(111) investigated with density-functional calculations (2007) (57)
- Single-particle spectrum of the degenerate electron gas (1968) (56)
- RPBE-vdW Description of Benzene Adsorption on Au(111) (2010) (54)
- Self-Consistent Calculation of Molecular Chemisorption on Metals (1979) (53)
- Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers. (2009) (53)
- Hydrogen dynamics in magnesium and graphite (2002) (52)
- Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using de (2008) (52)
- Theoretical studies of atomic adsorption on nearly-free-electron-metal surfaces (1977) (50)
- Neglected adsorbate interactions behind diffusion prefactor anomalies on metals (2001) (47)
- Calculated Momentum Distributions and Compton Profiles of Interacting Conduction Electrons in Lithium and Sodium (1971) (46)
- ISLAND MIGRATION CAUSED BY THE MOTION OF THE ATOMS AT THE BORDER : SIZE AND TEMPERATURE DEPENDENCE OF THE DIFFUSION COEFFICIENT (1998) (46)
- Adiabatic potential-energy surface of O2/Al(111): rare entrance-channel barriers but molecularly chemisorbed state apt for abstraction (2001) (44)
- Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111) (2011) (41)
- Calculation of geometries and chemisorption energies of adatoms on simple metals (1977) (41)
- Characteristic structure in core electron spectra of metals due to the electron-plasmon coupling (1969) (40)
- Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors (2010) (39)
- Stability of oxygen adsorption sites and ultrathin aluminum oxide films on Al(111) (2002) (38)
- Screening in a spin-polarized electron liquid (1972) (36)
- Dissociative adsorption of NO upon Al(111): Orientation dependent charge transfer and chemisorption reaction dynamics (2002) (35)
- Al Dimer Dynamics on Al(111) (1998) (35)
- Picture of adsorption and desorption of hydrogen emerging from self-consistent model calculations (1979) (35)
- Van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility (2011) (33)
- Trends in sticking and adsorption of diatomic molecules on the Al(111) surface (2005) (32)
- Density-functional calculation of van der Waals forces for free-electron-like surfaces (2001) (32)
- Initial sticking of O2 modeled by nonadiabatic charge transfer (2003) (30)
- Trends in atomic adsorption on titanium carbide and nitride (2005) (30)
- Electronic damping mechanism for vibrations, rotations, and translations of adsorbates on metal surfaces (1983) (29)
- First-principles calculations on the atomic and electronic structure of kappa-Al2O3 (1997) (28)
- Ballistic motion and abstraction in dimer dissociation at surfaces: Cl2 on K (1996) (26)
- Stability of a flexible polar ionic crystal surface: metastable alumina and one-dimensional surface metallicity. (2002) (26)
- Calculated Diabatic Atom-Surface Potential-Energy Curves (1986) (26)
- Beyond the One-Electron Approximation: Density of States for Interacting Electrons. (1970) (26)
- Density-functional account of van der Waals forces between parallel surfaces (1998) (26)
- Density-functional bridge between surfaces and interfaces (2001) (25)
- Johnston, Karen and Kleis, Jesper and Lundqvist, Bengt I. and Nieminen, Risto M. (2008) Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory. Physical Review B: Condensed Matter and Materials (2018) (23)
- Effect of Ground State and Excitation Potentials on Energy Levels of Ni Metal | NIST (1976) (23)
- Comment on "Nonlocal van der waals density functional made simple". (2010) (23)
- Photo-field-emission: A new probe of electron states between the Fermi and vacuum levels (1972) (22)
- Theoretical aspects of adsorption and heterogeneous catalysis (1983) (20)
- Nature of Versatile Chemisorption on TiC(111) and TiN(111) (2006) (19)
- Hot-electron-induced vibrational heating at surface: importance of a quantum-mechanical description (1995) (19)
- Damping of Phonons in Aluminum (1967) (17)
- Influence of the initial rotational state on the dissociation of hydrogen on copper (1993) (17)
- Robust nanosized transistor effect in fullerene-tube heterostructure (2000) (15)
- THEORETICAL INVESTIGATION OF THE STRUCTURE OF KAPPA -AL2O3 (1997) (15)
- Theoretical investigation of the mechanism for Xe transfer in the atomic switch (1993) (15)
- LEED spectra study of temperature effects in crystalline xenon surfaces (1971) (14)
- Nature of Chemisorption on Titanium Carbide and Nitride (2005) (13)
- Erratum: First-principles study of surface and subsurface O structures at Al(111) [Phys. Rev. B 63, 085405 (2001)] (2001) (12)
- Dissipative quantum dynamics in 2D: anisotropic dissipation and selective bond breaking in surface photochemistry. (2001) (11)
- Contraction of diatomic molecules upon chemisorption (1978) (11)
- Dissipative Quantum Dynamics in 2D (2001) (11)
- Single-particle spectrum of the degenerate electron gas IV. Ground state energy (1969) (10)
- The vdW-DF Family of Non-Local Exchange-Correlation Functionals (2017) (10)
- Calculated chemisorption properties of magnesium (1991) (9)
- Two-dimensional electrons gas in surface rydberg states: Limits set by auger decay (1992) (8)
- Singlet-triplet conversion of He∗(1s2s) by metal surfaces (1990) (8)
- Simulations of atomic structure, dynamics, and self-diffusion in liquid Au (1997) (8)
- Nature of bonding forces between two hydrogen-passivated silicon wafers (1998) (7)
- Understanding Heterogeneous Catalysis from the Fundamentals (2008) (7)
- DENSITY FUNCTIONALS AND VAN DER WAALS INTERACTIONS AT SURFACES (1998) (6)
- Theoretical descriptions of atomic and molecular chemisorption on metals (1987) (6)
- Collective properties of physical systems. Proceedings of the twenty- fourth Noble symposium, Lerum, Sweden, June 12--16, 1973 (1973) (6)
- CHEMISORPTION AND REACTIVITY OF METALS (1984) (5)
- Selection in catalytic water decomposition by molecular-orbital manipulation (1985) (5)
- Electronic Damping of the Motion of Adsorbates on Metal Surfaces (1983) (5)
- Aspects of molecule-surface interactions (1991) (5)
- Plasmon thresholds in the secondary electron yield - II. Dispersion laws (1972) (5)
- Bridging between micro- and macroscales of materials by mesoscopic models (2002) (5)
- Transport in robust fullerene-tube heterostructure transistor (2002) (4)
- Electron Transfer and Nonadiabaticity (2009) (4)
- Collective properties of physical systems : proceedings of the twenty-fourth Nobel Symposium held June 12-16, 1973 at Aspenäsgården, Lerum, Sweden (1973) (4)
- Chapter 10 Electron Transfer and Nonadiabaticity (2008) (4)
- Dynamics of partial dislocations in silicon (1996) (4)
- Atom-by-atom and concerted hopping of adatom pairs on an open metal surface (1999) (4)
- Self-organized one-dimensional electron systems on a low-symmetry oxide surface. (2003) (4)
- Theoretical Analysis of Vibrational Modes of an OH Molecule Adsorbed on a Transition Metal Surface (1987) (4)
- Theoretical investigation of the structure of k-Al 2O 3 (1997) (3)
- van der Waals forces in density functional theory : The vdW-DF method (2014) (3)
- ELECTRONIC DAMPING OF ADSORBATE MOTION ON METAL SURFACES (1984) (3)
- Electron Transfer at Surfaces (1996) (3)
- Static and Dynamic Aspects of Chemisorption (1982) (3)
- Theoretical Aspects of Adsorption (1990) (3)
- One-dimensional electron systems for anchoring growth of carbon nanostructures (2005) (3)
- Effects of electron-electron interaction on the one-electron properties of atoms and solids (1969) (3)
- Harris functional densities: from solid to atom (1996) (2)
- Theoretical studies of molecular adsorption on metal surfaces (1983) (2)
- Theoretical Structure Determination of a Complex Material: ϰ‐Al2O3. (1999) (2)
- On the single‐particle spectrum of an interacting electron gas (2009) (1)
- Erratum: Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory (Physical Review B - Condensed Matter and Materials Physics (2008) 77, (121404)) (2008) (1)
- van der Waals Density Functional for Atoms and Surfaces (1996) (1)
- Chemical binding in small molecules by the spin‐density‐functional formalism (2009) (1)
- Non-adiabatic Effects in Initial Sticking (2005) (0)
- Auger Decay of Surface Rydberg State (2013) (0)
- Accurate selfenergy-corrections to local-density bands of semiconductors and insulators (2016) (0)
- Nature of Adsorption on TiC(111) (2005) (0)
- LEED Thermal Scattering Studies of Xe (111) Surfaces (1972) (0)
- Report on the Workshop CATALYSIS FROM FIRST PRINCIPLES (2009) (0)
- Some Applications of the Density-Functional Formalism to Chemisorption (1984) (0)
- Open surface dynamics of atoms and dimers in metal-on-metal growth (2000) (0)
- A CRYSTAL DIFFRACTION SPECTROMETER FOR NON-DESTRUCTIVE BURNUP ANALYSIS (1964) (0)
- Low-symmetry DFT-LDA diffusion barriers in homoepitaxial growth of Al(111) (1998) (0)
- Initial Stages of Oxidation of Al(111) (1990) (0)
- Nature of Bond between SiC and Graphite (2006) (0)
- Spectra of interacting electrons in metals (1969) (0)
- Making and breaking of chemisorption bonds (1982) (0)
- Density Functional Analysis of Stabilizing Effects of Stacking Interactions in Nucleic Acid Base Pair Steps (2007) (0)
- NO oxidation on Pt(111) governed by oxygen coverage (2003) (0)
- First-Principles Calculations of Energetics Relevant for Growth of Al_2O 3 on TiC(111) (2000) (0)
- Mobility of dislocations in semiconductors (1996) (0)
- Comment on "Attracted by Long-Range Electron Correlation: Adenine on Graphite" (2006) (0)
- Thermal stability and texture development in sub-microcrystalline Nickel produced by pulse electrodeposition (2010) (0)
- Hard-materials-surface prediction of one-dimensional electron gas (2003) (0)
- 1 1 Molecular systems , growth and overlayers : van der Waals density functional and first-principle thermodynamics calculations (2010) (0)
- First-Principles Analysis of Wetting of TiC and TiN by Metals (2002) (0)
- Nature of Dislocations in Si, Ge, and C (1996) (0)
- Nature , Strength , and Consequences G 4 AQ 2 A 90 Q “ ~ $ v ? r of Indirect Adsorbate Interactions on Metals (2000) (0)
- Non-local Correlation Energy in Density Functional Theory (2003) (0)
- Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations (2010) (0)
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