Leonard Kleinman
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Physics
Leonard Kleinman's Degrees
- PhD Physics Stanford University
- Masters Physics Stanford University
Why Is Leonard Kleinman Influential?
(Suggest an Edit or Addition)Leonard Kleinman's Published Works
Number of citations in a given year to any of this author's works
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
- Efficacious Form for Model Pseudopotentials (1982) (3719)
- New Method for Calculating Wave Functions in Crystals and Molecules (1959) (859)
- Intrinsic and Rashba spin-orbit interactions in graphene sheets (2006) (736)
- First principles calculation of anomalous Hall conductivity in ferromagnetic bcc Fe. (2003) (453)
- Deformation Potentials in Silicon. I. Uniaxial Strain (1962) (299)
- Self-consistent calculations of the energy bands and bonding properties of B sub 12 C sub 3 (1990) (202)
- Chemisorption of oxygen on aluminum surfaces (1984) (156)
- Relativistic norm-conserving pseudopotential (1980) (135)
- Energy Bands of PbTe, PbSe, and PbS (1966) (134)
- New Approximation for Screened Exchange and the Dielectric Constant of Metals (1967) (129)
- Deformation Potentials in Silicon. III. Effects of a General Strain on Conduction and Valence Levels (1963) (113)
- Energy bands, effective masses and g-factors of the lead salts and SnTe (1970) (103)
- Comment on the average potential of a Wigner solid (1981) (102)
- Adiabatic Dynamics of Local Spin Moments in Itinerant Magnets (1999) (92)
- Significance of the highest occupied Kohn-Sham eigenvalue (1997) (89)
- Adsorption kinetics of acetylene and ethylene on Si(001) (2004) (71)
- Effect of spin-orbit coupling on small platinum nanoclusters (2006) (70)
- Crystal Potential and Energy Bands of Semiconductors. II. Self-Consistent Calculations for Cubic Boron Nitride (1960) (69)
- In-plane relaxation of Cu(111) and Al(111)/α-Al 2 O 3 (0001) interfaces (2001) (62)
- Crystal Potential and Energy Bands of Semiconductors. I. Self-Consistent Calculations for Diamond (1959) (60)
- Theoretical study of structural and electronic properties ofβ−Ta2O5andδ−Ta2O5 (2004) (58)
- Self-consistent energy bands of Cu 2 O (1980) (56)
- Extended-Hückel study of the (111), (100), and (110) surfaces of copper (1977) (55)
- Self-consistent charge density and surface electronic states for the (001) face of lithium (1974) (52)
- h-BN monolayer adsorption on the Ni (111) surface : A density functional study (2006) (52)
- PtN: A zinc-blende metallic transition-metal compound (2005) (49)
- Spin-wave dynamics in real crystals (1998) (49)
- Theory of the Magnetic Susceptibility of Bloch Electrons (1972) (48)
- Energy Bands for the (001) Surface of Aluminum (1973) (48)
- Self-consistent electronic structure of 6- and 18-layer Cu(111) films (1983) (46)
- Exchange and the Dielectric Screening Function (1968) (43)
- Adsorption of cyclopentene on the Si(001) surface: A first-principles study (2001) (42)
- Energy Bands of Metallic VO2 (1973) (40)
- Self-consistent energy bands and bonding ofNi3Si (1982) (40)
- Density-functional study of palladium-doped small gold clusters (2003) (38)
- Theoretical investigation of PtSi surface energies and work functions (2006) (36)
- Density functional study of multiferroicBi2NiMnO6 (2007) (35)
- First-principles study of the adsorption ofC2H2andC2H4on Si(100) (2001) (34)
- One-dimensional molecular wire on hydrogenated Si(001) (2002) (34)
- Magnetism of the V(001) surface: Contradictory results from pseudopotential and linearized augmented plane-wave calculations (2001) (33)
- Self-energy contributions to the electronic structure of Ni (1981) (33)
- Self-consistent electronic structure of 7- and 19-layer Cu(001) films (1983) (33)
- Gradient term in the Kohn-Sham exchange-correlation potential (1974) (33)
- Energy Bands of Semiconducting VO 2 (1973) (32)
- Self-consistent Al (111) film calculations (1980) (32)
- Energy bands of (100) copper thin films (1976) (32)
- New Method of Calculating Bulk and Surface States in Thin Films (1972) (31)
- Reply to ``Comment on `Significance of the highest occupied Kohn-Sham eigenvalue' '' (1997) (31)
- Electronic surface states on (111) aluminum (1974) (30)
- Energy bands of (100) iron thin films (1975) (30)
- Density functional determination of the magnetic state ofβ-MnAs (2004) (29)
- Covalent Bonding and Charge Density in Diamond (1962) (29)
- Energy bands of (111) copper thin films (1976) (28)
- Exchange density-functional gradient expansion (1984) (27)
- Energy bands and effective masses of CuCl (1979) (27)
- Weakly correlated one-dimensional indium chains on Si(111) (2001) (27)
- Exchange Corrections to Hot-Electron Lifetimes (1971) (27)
- Fe magnon dispersion curve calculated with the frozen spin-wave method (2000) (26)
- Energy bands of a (110) iron thin film (1976) (26)
- Osmium is not harder than diamond (2005) (24)
- Density functional calculations of the influence of hydrogen adsorption on the surface relaxation of Ti (0001) (2005) (24)
- Density functional study of the effect of pressure on the ferroelectricGeTe (2006) (24)
- Energy bands of (100) and (110) ferromagnetic Ni films (1978) (23)
- Position of the Oxygen Overlayer on Al(111) (1982) (22)
- Electronic structure of one-dimensional indium chains on Si(111) (2005) (22)
- Surface Properties and the Photoelectron Spin Polarization of Nickel (1977) (21)
- Coherent dynamics of multilevel systems (1980) (21)
- Crystalline effects in the theory of lattice contraction at metal surfaces (1974) (21)
- Modified Augmented-Plane-Wave Method for Calculating Energy Bands (1969) (21)
- Magnetism of the V(001) surface in the generalized gradient approximation (2000) (21)
- Improved Hydrodynamic Theory of Surface Plasmons (1973) (21)
- THE OPTIMIZED EFFECTIVE POTENTIAL FOR ATOMS AND SEMICONDUCTORS (1996) (20)
- Contrasting structural and bonding properties of trimethylamine and dimethylamine adsorbed on Si(001) (2003) (20)
- Lattice dynamics and vibrational specific heat of MgO microcrystals (1978) (20)
- Electronic surface states on (110) aluminum (1974) (19)
- Electronic structure, elastic properties, surface energies, and work functions of NiGe and PtGe within the framework of density-functional theory for various surface terminations (2007) (19)
- Density functional for noncollinear magnetic systems (1999) (19)
- Crystal Potential and Energy Bands of Semiconductors. (1960) (18)
- GRADIENT-CORRECTED CORRELATION WITH NEARLY EXACT KOHN-SHAM EXCHANGE : CALCULATIONS FOR SI AND GE (1997) (18)
- FULL-POTENTIAL GENERALIZED GRADIENT APPROXIMATION CALCULATIONS OF SPIRAL SPIN-DENSITY WAVES IN GAMMA -FE (1999) (18)
- Hydrogen adsorption and dissociation on small platinum clusters: An electronic structure density functional study (2006) (17)
- Theoretical study of structural and electronic properties of β-Ta2O5 and δ-Ta2O5 (2004) (17)
- Adsorption structure of 1,4-cyclohexadiene on Si(001) (2002) (16)
- Ab initiocalculation of the energy bands of (001) iron thin films (1976) (16)
- Deformation Potentials in Silicon. II. Hydrostatic Strain and the Electron-Phonon Interaction (1963) (16)
- Core-level shifts of low coordination atoms at the W(320) stepped surface (2001) (15)
- Adsorption structure of 2-butyne on Si(100)-(2×1) (2003) (15)
- Silicon-Carbide Nanostructures to Nanotubes (2007) (15)
- Energy bands of a (111) iron thin film (1976) (15)
- Relativistic energy bands of (010) tungsten thin films (1979) (15)
- Crystal Potential and Energy Bands of Semiconductors. IV. Exchange and Correlation (1962) (15)
- Nature of lattice distortion in one-dimensional dangling-bond wires on Si and C (2002) (15)
- FULL POTENTIAL AB INITIO CALCULATIONS OF SPIRAL SPIN DENSITY WAVES IN FCC FE (1998) (15)
- Self-consistent semirelativistic pseudopotential calculation of the energy bands, cohesive energy, and bulk modulus of W (1983) (14)
- Infrared absorption in MgO microcrystals (1978) (14)
- Ab initio calculations of boron and its carbides (2008) (14)
- Theoretical study of water adsorption on the Ge(100) surface (2002) (14)
- Theoretical study of structural and electronic properties ofδ-MoN (2004) (14)
- Correlation effects on the energy band of Ni (1979) (13)
- Theoretical study of the structure of 1,5-cyclooctadiene on Si(001) (2001) (13)
- Adsorption structure of acetylene on Ge(001): A first-principles study (2003) (13)
- Theory of Phonon-Assisted Tunneling in Superconductors (1963) (13)
- Density functional study ofGe1−xMnxTe (2007) (13)
- Effect of atomic displacements on the ground state ofα−TeO2 (2004) (13)
- First-principles study of the adsorption and reaction of cyclopentene on Ge(001) (2003) (12)
- Error in the tetrahedron integration scheme (1983) (12)
- A new lattice sum for use in obtaining self-consistent warped-muffin-tin potentials in metal films (1976) (12)
- Energy bands of (111) ferromagnetic Ni films (1978) (12)
- Electron-magnon interactions in Ni (1978) (12)
- Self-consistent calculations of oxygen monolayers on Al(111) films (1981) (12)
- SPIRAL SPIN-DENSITY-WAVE GROUND STATE OF GAMMA -FE CALCULATED WITH SPIN STIFFNESS CORRECTION TO THE LOCAL-SPIN-DENSITY APPROXIMATION (1999) (12)
- Energy bands of (110) copper thin films (1976) (11)
- Self-assembled molecular array in methylamine dissociation on Si(001) (2003) (11)
- Ab initio calculations of the adsorption and reaction of acetonitrile on Si(001) (2003) (11)
- Ab initio study of atomic structure and Schottky barrier height at the GaAs / Ni 0.5 Pt 0.5 Ge interface (2008) (10)
- Comments on transition metal surface calculations (1977) (10)
- Computational study of subsurface binding sites of oxygen on Al(111) (1983) (10)
- Erratum: PtN: A zinc-blende metallic transition-metal compound [Phys. Rev. B71, 041101(R) (2005)] (2005) (10)
- Effect of the Dielectric Function on the Phonon Spectrum of Magnesium (1970) (10)
- DFT+U search for the energy minimum among eight collinear and noncollinear magnetic structures of GdB4 (2008) (10)
- Theoretical study of the reaction of acrylonitrile on Si(001). (2004) (10)
- Self-consistent electronic structure of the (001) surface of lithium and the initial forces of ionic relaxation☆ (1974) (9)
- Effects of Different Potentials on Iron Surface States (1975) (9)
- Dissociative adsorption of vinyl bromide on Si(001) : A first-principles study (2005) (9)
- UNEXPECTED BAND-GAP COLLAPSE IN QUATERNARY ALLOYS AT THE GROUP-III-NITRIDE/GAAS INTERFACE : GAALASN (1998) (9)
- Density functional study of a ferromagnetic ferroelectricLaMnO3∕BaTiO3superlattice (2008) (9)
- Polarization effects in two-phonon Raman scattering in cubic crystals. (1965) (9)
- Bulk charge neutrality in (111) semiconductor slabs (1975) (8)
- Supplemented-orthogonalized-plane-wave expansion for energy-band calculations (1974) (8)
- Surface Distortion and Electrostatic Balance of Metals (1971) (8)
- Bulk charge neutrality in semiconductors (1975) (8)
- Theory of magnetic susceptibility of semimetals and narrow-gap semiconductors (1972) (8)
- Temperature Dependence of the Fundamental and Overtone Absorption Bands of Phosphorus-Doped GaAs (1966) (8)
- Density functional study of the effect of pressure on the ferroelectric gete (2006) (8)
- Projected surface energy bands of bcc iron (1974) (7)
- Theoretical study of electronic and magnetic properties of MnN (2003) (7)
- First-Principles Calculation of the Bulk Modulus of Diamond (1970) (7)
- Density functional study of weak ferromagnetism in a thick BiCrO3 film (2010) (7)
- Electronic structure of stacking faults in nickel (1980) (7)
- Effects of the potential on surface states (1974) (7)
- Pair Distribution Function for Various Dielectric Functions (1970) (7)
- Rumpled relaxation and surface core-level shift in PbS(001) (2004) (7)
- Theoretical and experimental investigation of valence band offsets for direct silicon bond hybrid orientation technology (2007) (6)
- Charge Density of Diamond (1967) (6)
- Nonenhancement of magnetic moments on transition metal impurities by alkali metal hosts (2003) (6)
- Outer-core— and valence—electron pseudopotential (1984) (6)
- Orthogonalized-Plane-Wave Theory of Metallic Binding (1966) (6)
- Density functional study of Si(001)/Si(110) and Si(100)/Si(110) interfaces (2007) (6)
- Core Rearrangement and Hartree-Fock Ionization Energies (1967) (5)
- Hydrogen catalyzed adsorption of alkenes on the diamond (001) surface (2003) (5)
- Effect of spin-orbit interaction on the magnetic susceptibility of Bloch electrons (1971) (5)
- Comparison of two self-consistent Al(111) film calculations (1981) (5)
- Ab initio calculations of cyclopentene adsorbed on the diamond (001) surface (2002) (5)
- sp↔dcharge transfer at transition- and noble-metal surfaces (1982) (4)
- Erratum: Gradient term in the Kohn-Sham exchange-correlation potential (1975) (4)
- Broken Symmetry in the Local-Spin-Density Approximation and Its Application to Relativistic Atoms (1983) (4)
- Density-functional study of bulk silicon lightly doped with manganese (2008) (4)
- Density-Gradient Expansion (1990) (4)
- Phonon Effects on Localized Electrons (1973) (3)
- Inner Displacements of Strained hcp Metals (1968) (3)
- Erratum: Magnetism of the V(001) surface: Contradictory results from pseudopotential and linearized augmented plane-wave calculations [Phys. Rev. B 63, 172420 (2001)] (2001) (3)
- New Kind of Surface State in Nearly-Free-Electron Metals (1972) (3)
- Theoretical study of Na adsorption on top of In chains on the Si(111) surface (2002) (3)
- Self-Consistent Energy Bands and Cohesive Energy of γ-Fe Using Two Forms of the Warped-Muffin-Tin Potential (1971) (3)
- Electronic structure of steps on the (001) surface of copper (1977) (3)
- Comment on the interpretation of the -3.3- and -2.8-eV features observed by Eberhardt and Plummer in Ni(001) photoemission (1980) (3)
- Second stage of A1(111) oxidation (1984) (3)
- Deformation-Potential Theory of Magnetoacoustic Attenuation (1969) (3)
- Comment on criteria for existence of surface states (1976) (3)
- Reply to a comment on the electronic structure of nickel (1980) (3)
- THE STRUCTURE OF Li(NH3)4 (1970) (2)
- First-principles study of the adsorption of C2H2 and C2H4 on Si„100.. (2001) (2)
- Erratum: First-principles study of the adsorption of C2H2 and C2H4 on Si(001) [Phys. Rev. B 63, 073306 (2001)] (2001) (2)
- Si 2 p core-level shifts at the C 2 H 2 / Si ( 001 ) and C 2 H 4 / Si ( 001 ) surfaces (2001) (2)
- Comment on the symmetry of theS¯surface states of Ni(110) (1981) (2)
- Hartree-Fock Study of Metals. I. Single-Orthogonalized-Plane-Wave Binding Energy of Aluminum (1969) (2)
- Self-Consistent Warped-Muffin-Tin-Potential Energy Bands of γ-Fe with Various Exchange Approximations (1971) (2)
- Orbital-symmetry rules for chemisorption (1974) (2)
- White and Bird's Formulation of Gradient-Corrected Exchange-Correlation Potentials Applied to Atoms (1997) (2)
- Erratum: Self-consistent relativistic calculation of the energy bands and cohesive energy of W [Phys. Rev. B 29, 1534 (1984)] (1985) (1)
- Nonapplicability of the Hellmann-Feynman Theorem to Infinitely Periodic Systems (1970) (1)
- Erratum: Density functional study of the effect of pressure on the ferroelectric GeTe [Phys. Rev. B 73, 214105 (2006)] (2009) (1)
- Using the Exact Kohn-Sham Exchange Energy Density Functional and Potential to Study Errors Introduced by Approximate Correlation Functionals (1998) (1)
- Erratum: Energy bands of (100) iron thin films (1976) (1)
- MAGNETISM OF 4d TRANSITION METAL MONOLAYERS (1993) (1)
- Full potential calculations of the spiral spin density wave ground state of ?-Fe (2000) (1)
- Phonon-Assisted Tunneling in Superconductors (1964) (1)
- Computational study of the ferromagnetic and ferroelectric properties of (Bi$_{2}$Mn NiO$_{6})_{4}$. (2007) (0)
- Electrontc and Physical Structure of Tellurium Dioxide (2004) (0)
- GGA+$U$ calculation of the magnetic ground state of GdB$_{4}$ (2009) (0)
- Energy bands of metallic VO$sub 2$ (1973) (0)
- Non-collinear magnetism of GdB$_{4}$: A DFT+$U$ study (2007) (0)
- Surface Relaxation of V(100); Experiments and Ab-Initio Calculations: a status report on the Feibelman Issue (2005) (0)
- Ab-initio simulation of relaxation and adhesion of Cu(111) and Al(111) / α-Al_2O 3 (0001) interfaces. (2001) (0)
- Erratum: Self-consistent electronic structure of 7- and 19-layer Cu(001) films (1983) (0)
- Experimental and Theoretical Investigation of Si(001)/Si (110) Junctions (2007) (0)
- Failure of Linear-Response-Theory for NaK Alloys (1997) (0)
- DFT investigation of weak ferromagnetic and antiferroelectric properties of tetragonal BiCrO$_{3}$ (2010) (0)
- A density functional study of the effect of pressure on GeTe (2006) (0)
- Comment on the self-interaction correction to the local spin density exchange splitting (1981) (0)
- Density functional study of Ge1- xMnxTe (2007) (0)
- Silicon-carbon nano-structures to nano-tubes. (2006) (0)
- A theoretical investigation of selected silicides and germanides (2007) (0)
- Schottky-Barrier height at Si(001)/PtSi(010) and Si(111)/ErSi$_{2}$(001) interface (2006) (0)
- Reply to ''Comment on 'Fe magnon dispersion curve calculated with the frozen spin-wave method' '' (2003) (0)
- Bulk and Surface Properties of Metals. (1974) (0)
- Interface "hydrodynamic" plasmon solutions of the Boltzmann equation (1982) (0)
- Energy bands of semiconducting VO$sub 2$ (1973) (0)
- Density functional determination of the magnetic state of $\beta$-MnAs (2005) (0)
- Erratum: Bulk charge neutrality in (111) semiconductor slabs (1975) (0)
- Theoretical investigation of Pt monosilicide and several germanides: electronic structure, surface energetics, and work functions (2006) (0)
- Electronic structure and Schottky-barrier height of Si/PtSi interface (2005) (0)
- Si 2p core-level shifts at the C2H2/Si(001) and C2H4/Si(0011) surfaces (2001) (0)
- Density functional study of ferromagnetic ferroelectric LaMnO$_{3}$/BaTiO$_{3}$ superlattice (2008) (0)
- Density functional study of manganese doped bulk silicon (2006) (0)
- Electron d-band width of nickel (1980) (0)
- Erratum: Gradient-corrected correlation with nearly exact Kohn-Sham exchange: Calculations for Si and Ge [Phys. Rev. B55, 9432 (1997)] (1997) (0)
- Physical and Electronic Properties of Metals. (1972) (0)
- Comparison of Interfacial Charge Densities, Valence Band Offsets, and Formation Enthalpies of (GaAs)n(AlAs)n(001), (110), and (111) (1988) (0)
- Comment on the Fong-Cohen d Pseudopotential (1972) (0)
- Correlation energy calculated with various dielectric functions (1970) (0)
- The trapping of positive energy electrons on an infinite sheet (1977) (0)
- Magnetoacoustic Attenuation by Bragg-Reflected Electrons (1971) (0)
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