Donald R. Hamann
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Physics
Donald R. Hamann's Degrees
- PhD Physics Stanford University
- Bachelors Physics California Institute of Technology
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(Suggest an Edit or Addition)Donald R. Hamann's Published Works
Published Works
- “A and B”: (2019) (53960)
- Theory of the scanning tunneling microscope. (1985) (3124)
- Norm-Conserving Pseudopotentials (1979) (2522)
- Pseudopotentials that work: From H to Pu (1982) (2063)
- ABINIT: First-principles approach to material and nanosystem properties (2009) (2043)
- Theory and Application for the Scanning Tunneling Microscope (1983) (1867)
- Optimized norm-conserving Vanderbilt pseudopotentials (2013) (1134)
- Reproducibility in density functional theory calculations of solids (2016) (976)
- The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table (2017) (771)
- Generalized norm-conserving pseudopotentials. (1989) (739)
- Recent developments in the ABINIT software package (2016) (576)
- Direct Fabrication of Large Micropatterned Single Crystals (2003) (404)
- Exact Results in the Kondo Problem. II. Scaling Theory, Qualitatively Correct Solution, and Some New Results on One-Dimensional Classical Statistical Models (1970) (360)
- Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement (1999) (323)
- New Solution for Exchange Scattering in Dilute Alloys (1967) (261)
- Metric tensor formulation of strain in density-functional perturbation theory (2004) (225)
- Electronic Structure of a "Poisoned" Transition-Metal Surface (1984) (208)
- Generalized gradient theory for silica phase transitions. (1996) (201)
- Interatomic potentials for silicon structural energies. (1985) (201)
- Modification of transition metal electronic structure by P, S, Cl, and Li adatoms (1985) (183)
- Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials (1979) (175)
- H 2 O hydrogen bonding in density-functional theory (1997) (174)
- Electronic structure of Ba Pb 1 − x Bi x O 3 (1983) (171)
- Surface States and Surface Bonds of Si(111) (1973) (169)
- Theory of reconstruction induced subsurface strain — application to Si(100) (1978) (168)
- Real-space observation of surface states on Si(111)7 x 7 with the tunneling microscope. (1985) (164)
- The electronic structure of solid surfaces (1976) (164)
- Self-Consistent Electronic Structure of Solid Surfaces (1972) (151)
- Band structure and semiconducting properties of FeSi. (1993) (132)
- New classical models for silicon structural energies. (1987) (130)
- Self-Consistent Calculation of the Electronic Structure at an Abrupt GaAs-Ge Interface (1977) (129)
- Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W. (1986) (128)
- ABINIT: Overview and focus on selected capabilities. (2020) (124)
- New silicide interface model from structural energy calculations. (1988) (119)
- Vibrational frequencies and structural properties of transition metals via total-energy calculations (1982) (114)
- Diffusion of Atomic Oxygen in SiO 2 (1998) (114)
- The Si (100) surface. III. Surface reconstruction (1976) (112)
- Specific Heat of Dilute Magnetic Alloys (1967) (108)
- Simulated annealing of silicon atom clusters in Langevin molecular dynamics. (1986) (102)
- Surface Charge Densities and Atom Diffraction (1981) (102)
- Variational Calculation of the Image Potential near a Metal Surface (1972) (99)
- Surface Potential, Charge Density, and Ionization Potential for Si(111)-a Self-Consistent Calculation (1974) (99)
- Self-Consistent Quantum Theory of Chemisorption: H on Si(111) (1975) (98)
- Electronic structure of the high-Tc superconductor Ba1-xKxBiO3. (1988) (98)
- Electronic structure of a Ti(0001) film (1979) (97)
- Bonding and structure of CoSi2 and NiSi2 (1983) (94)
- Measurement and calculation of polarization and potential-energy effects on core-electron binding energies in solids: X-ray photoemission of rare gases implanted in noble metals (1974) (94)
- Long-Range Elastic Interactions and Staging in Graphite Intercalation Compounds (1979) (92)
- Total-energy calculations for Si with a first-principles linear-combination-of-atomic-orbitals method (1982) (90)
- PATH INTEGRAL THEORY OF MAGNETIC ALLOYS (1970) (89)
- Theory of H bonding and vibration on Pt(111) (1987) (86)
- Phonon Broadening of X-Ray Photoemission Linewidths. (1974) (85)
- Electronic structure of the Cu(111) surface (1978) (81)
- Observation of a true interface state in strained-layer Cu adsorption on Ru(0001). (1986) (81)
- Bulk and surface electronic structure of hexagonal WC (1984) (79)
- Electronic structure of the tungsten (001) surface (1984) (78)
- Quantum-size effects in work functions of free-standing and adsorbed thin metal films (1984) (77)
- Self-Consistent Pseudopotential for Si (1973) (76)
- Physics and chemistry of silicon wafer bonding investigated by infrared absorption spectroscopy (1996) (68)
- Geometry and Electronic Structure of Cl on the Cu {001} Surface (1982) (66)
- Hydrogen chemisorption on the 100 (2 × 1) surfaces of Si and Ge (1978) (63)
- Infrared spectroscopy as a probe of fundamental processes in microelectronics : silicon wafer cleaning and bonding (1996) (61)
- Fluctuation Theory of Dilute Magnetic Alloys (1969) (61)
- Photoemission and band-structure results for NiSi2 (1982) (59)
- Electronic- and crystal-structure effects on superconductivity in the BaPb/sub 1-x/Bi/sub x/O/sub 3/ system (1982) (58)
- Energies of strained silica rings (1997) (58)
- Si(100) Surface Reconstruction: Spectroscopic Selection of a Structural Model (1975) (56)
- Site and nature of H bonding on Ti (0001) (1980) (55)
- Compton scattering evidence for covalency of the hydrogen bond in ice (2000) (55)
- Electrostatic interactions and staging in graphite intercalation compounds (1980) (55)
- Transition from chaotic to nonchaotic behavior in randomly driven systems. (1992) (54)
- Energetics of silicon suboxides (2000) (53)
- Electronic band properties of CaSr2Bi (1988) (53)
- Erratum: Optimized norm-conserving Vanderbilt pseudopotentials [Phys. Rev. B 88, 085117 (2013)] (2017) (52)
- The Si (100) surface: A theoretical study of the unreconstructed surface (1975) (50)
- Ballistic electron transmission through interfaces. (1988) (48)
- 0 O ct 2 01 7 The P seudo D ojo : Training and grading a 85 element optimized norm-conserving pseudopotential table (2017) (46)
- Oxygen hole symmetry and banding in cuprate superconductors. (1989) (45)
- Electron-Gas Spin Susceptibility (1966) (45)
- X-ray photoelectron spectroscopy of implanted rare gases in noble metals: Polarization and potential effects (1973) (45)
- Maximally localized Wannier functions for GW quasiparticles (2008) (45)
- Lattice-polarization effects on electron-gas charge densities in ionic superlattices (2006) (43)
- Electronic structure and properties of CoSi2. (1988) (43)
- LAPW calculations of Rh(001) surface relaxation (1990) (42)
- The Si(2 × 1) surface: A theory of its spectroscopy (1975) (41)
- GaAs(100): Its spectrum, effective charge, and reconstruction patterns (1976) (40)
- Energetics of silicide interface formation. (1985) (39)
- Self-consistent charge densities, band structures, and staging energies of graphite intercalation compounds (1981) (39)
- Structural calculations for bulk As. (1986) (38)
- Application of adaptive curvilinear coordinates to the electronic structure of solids. (1995) (38)
- Properties of the Renormalized Random-Phase Approximation for Dilute Magnetic Alloys (1969) (38)
- Electronic and structural properties of CaSi2. (1990) (37)
- Hydrogen Chemisorption on Si: A New Type of Chemisorptive Bond (1977) (37)
- Electronic structure of a Pd monolayer on Nb(110) (1983) (35)
- Analysis of Co-Cu bonding by observation of interface states on Cu/Ru bimetallic surfaces (1987) (35)
- Surface structure of Ge(100) studied by He diffraction. (1987) (35)
- Surface states of Sc(0001) and Ti(0001) (1979) (35)
- Electron transmission through silicon stacking faults. (1990) (34)
- Electronic structure at an abrupt GaAs–Ge interface (1977) (32)
- Cascade Capture of Electrons by Ionized Impurities (1964) (32)
- Theory of H bonding and vibration on Ru(0001) (1987) (31)
- Synthesis of Copper(I) catenanes incorporating a disulfide bridge and their deposition on a gold surface (2000) (30)
- Theoretical studies of ion neutralization at a solid surface (1975) (29)
- Comparison of global and local adaptive coordinates for density-functional calculations (2000) (29)
- Phonon broadening of x-ray photoemission line shapes in solids and its independence of hole state lifetimes (1977) (28)
- Positive-projection Monte Carlo simulation: A new variational approach to strongly interacting fermion systems. (1990) (28)
- Diffusive behavior of states in the Hubbard-Stratonovitch transformation. (1991) (28)
- Geometry of the Ag)001)-c(2 x 2)Cl structure as as determined by He diffraction (1983) (28)
- Electronic band properties of Ba_{2}Tl_{2}CuO_{6} (1988) (28)
- Comparative LCAO-LAPW study of C1 chemisorption on the Ag(001) surface (1981) (28)
- Bonding geometry and H vibrations on W(001). (1986) (28)
- Surface-induced charge disturbances in filled bands (1974) (26)
- Spectroscopic determination of surface geometry: Ti(0001)-H(1×1) (1980) (25)
- Theory of ballistic-electron-emission spectroscopy of NiSi2/Si(111) interfaces. (1991) (25)
- Orthogonality Catastrophe in Metals (1971) (25)
- Anharmonic vibrational modes of chemisorbed H on the Rh(001) surface. (1988) (24)
- The effect of disordering on the spectral properties of partial monolayers of H on Si(111) (1976) (23)
- Energy measurement in auxiliary-field many-electron calculations. (1990) (22)
- Hydrogen bonding in urea (2001) (22)
- Self-Consistent Curie-Law Calculation for Anderson'S Dilute-Alloy Model (1966) (22)
- The Si (100) surface-further studies of the pairing model (1977) (20)
- Band structure in adaptive curvilinear coordinates. (1995) (20)
- Absolute and approximate calculations of electron-energy-loss spectroscopy edge thresholds. (2002) (20)
- Derivation of Kondo Anomalous Scattering from the Anderson Dilute-Alloy Model (1967) (20)
- EFFECTIVE MASS OF POSITRONS IN METALS (1966) (20)
- The Si (100) surface. II. A theoretical study of the relaxed surface (1975) (19)
- Kinematic theory of ballistic electron emission spectroscopy of silicon–silicide interfaces (1991) (19)
- Electron transmission through NiSi2-Si interfaces. (1989) (19)
- Erratum: Metric tensor formulation of strain in density-functional perturbation theory [Phys. Rev. B 71, 035117 (2005)] (2005) (18)
- Cl chemisorption on the Ag(001) surface: Geometry and electronic structure (1981) (18)
- Theoretical calculations of H interacting with Si(100) 1 × 1 (1977) (17)
- Theory of H bonding and vibration on close‐packed metal surfaces (1987) (17)
- GENERALIZED-GRADIENT FUNCTIONALS IN ADAPTIVE CURVILINEAR COORDINATES (1996) (17)
- Geometric vs. electronic factor in surface electronic structure-H adsorption on Sc and Ti(0001) (1980) (15)
- Electronic structure of metal overlayers on rhodium (1983) (15)
- The 3nu1 + nu2 Combination Band of HOCl: Assignments, Perturbations, and Line Intensities (1997) (15)
- Hydrogen vibrations at transition metal surfaces (1987) (14)
- Modification of Cu-H bonding near a Ru(0001) surface (1986) (14)
- A Novel Outcome of the Hydroperoxide Rearrangement. (2000) (14)
- Coherency strains and staging in graphite intercalation compounds (1980) (13)
- Generalized-gradient-functional treatment of strain in density-functional perturbation theory (2005) (13)
- Scaling theory for the Kondo and one-dimensional Ising models☆ (1970) (13)
- Computers in physics: an overview (1983) (12)
- Sensitivity of helium diffraction to surface geometry. (1985) (12)
- Corrections to a Proposed Magnetic-Impurity Ground State (1969) (12)
- INVESTIGATION OF KONDO ALLOYS AND COMPOUND BY THE SUPERCONDUCTIVE PROXIMITY EFFECT. (1971) (11)
- Secondary Reconstruction on the Si(100) Surface via a Charge-Density Wave (1976) (11)
- Electronic band properties of Pb2Sr2YCu3O8. (1989) (11)
- Electronic structure of the high-Tc superconductor Ba1-xKxBiO3. (1988) (10)
- Relativistic Electron-Phonon Interaction in Transition Metals (1979) (10)
- He-Si(100) potential: Charge superposition and model structures. (1986) (9)
- Erratum: Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement [Phys. Rev. Lett. 82, 600 (1999)] (1999) (9)
- Quantum physics and chemistry of surfaces (1976) (9)
- Electronic properties of zircon and hafnon from many-body perturbation theory (2009) (9)
- Adaptive-coordinate electronic structure of 3d bands: TiO 2 (1997) (8)
- Comment on the Relation of Relaxation to Electronic-Energy-Level Structure on the Si(111) Surface (1976) (8)
- Theoretical study of the GaAs (100) surface (1976) (8)
- Theoretical studies of the electronic structure of semiconductor surfaces (1977) (8)
- Interface-state properties for strained-layer Ni adsorbed on Ru(0001). (1988) (8)
- Surface states of clean and metal-overlayer-covered Cr(001) films. (1985) (7)
- Partial densities of states and electron–phonon interaction in transition metals (1978) (7)
- Electronic structure of the high Tc superconductor Ba2YCu3O6.9 (1993) (6)
- ERBIUM IN SI AND GAN: EXTENDED VERSUS POINT DEFECTS (2001) (6)
- Electronic charge density of V3Si (1981) (6)
- He--Ag)001)-c(2 x 2)Cl attractive potential from resonance scattering (1983) (5)
- Erratum: Pseudopotentials that work: From H to Pu (1984) (5)
- 8. – Functional Integral Methods in the Magnetic Impurity Problem (1973) (5)
- Citrinet al.Respond (1983) (5)
- Reply to "Comment on 'Pseudopotentials that work: From H to Pu' " (1988) (5)
- Electronic Structure of a Nitrogen Vacancy in Cubic Gallium Nitride (1998) (4)
- Cl chemisorption on the Pd(001) surface: A self-consistent LCAO calculation of electronic structure (1981) (4)
- VIBRATIONAL FREQUENCIES VIA FROZEN PHONONS (1981) (4)
- Electronic Structure of Si and Ge Surfaces (1974) (3)
- Effects of dissipation on nonlocal microwave fields. (1995) (3)
- Surface and interface properties for the Cu/W(110) system and their effect on oxygen adsorption. (1992) (3)
- Classical Two and Three-Body Interatomic Potentials for Silicon Simulations (1985) (2)
- Long-range interactions in auxiliary-field many-electron calculations. (1993) (2)
- Observables in high-statistics measurements of the reaction p-barp--> Lambda -bar Lambda. (1996) (2)
- Structures and Electronic Properties of Epitaxial Silicon-Silicide Interfaces (1989) (2)
- Theory of H-bonding to a pseudomorphic monolayer of Ni on a W(001) surface (1987) (2)
- Summary Abstract: Studies of the interaction of CO with the interface states for strained‐layer Cu on Ru(0001) (1987) (2)
- Review Article: End of an Era? A Discussion (1973) (2)
- Chemisorption on Semiconductor Surfaces (1980) (2)
- Generalized-gradient functionals in adaptive curvilinear coordinates. (1996) (2)
- Electronic band properties of Ba2Tl (1988) (1)
- Erratum: Energies of strained silica rings [Phys. Rev. B 55, 14784 (1997)] (2006) (1)
- Energetics of silicide interface formation. (1985) (1)
- The Chemistry of High Polymers, von C. E. H. Bawn, Butterworths Scientiffic: Publications, London 1948, 249 S., 72 Abb., 31 Tab., 17 sh, 6 d. (1950) (1)
- Truncated Green's Function Theory of the Kondo Effect (1968) (1)
- Self-Consistent Psendopotential for Si (1973) (1)
- Electronic band properties of CaSr2Bi (1988) (0)
- BYU ScholarsArchive BYU ScholarsArchive Methane Conversion in Pulsed Corona Discharge Reactors Methane Conversion in Pulsed Corona Discharge Reactors (2018) (0)
- Structure of Silicide Surfaces and Interfaces (1992) (0)
- First Principles Methods for Correlated Ground States of Solids (1992) (0)
- Frontmatter (1988) (0)
- Using Hartree-Fock pseudopotentials in GW calculations (2010) (0)
- Kinematic Theory of BEEM Spectroscopy of Silicon-Silicide Interfaces (1991) (0)
- A Chemistry of Plastics and High Polymers, von P. D. Ritchie. Cleaver-Hume Press Ltd., London. 288 S., 326 Diagramme u. Strukturformeln, 34 Abb. Ganzln. s. 25.– (1953) (0)
- Copolymerisation, von T. Alfrey, J. J. Bohrer und H. Mark. 8. Band der Serie „High Polymers”; Interscience Publishers, New-York, 1952. 269 S., gedb. $ 6.80 (1953) (0)
- Recent Progress in the Auxiliary-Field Many-Fermion Simulation Method (1992) (0)
- Measurement of the p-barp--> Lambda -bar Lambda and p-barp--> Sigma -bar 0 Lambda +c.c. reactions at 1.726 and 1.771 GeV/c. (1996) (0)
- Calculation of Surface Structural Energies (1988) (0)
- A theoretical study of the Si(100) surface (1975) (0)
- Electronic Structure of a (1984) (0)
- Arups Studies of the Interaction of Co with the Interface States for Strained-Layer Cu on Ru 0001) (1986) (0)
- Metric Tensor Formulation of the Strain Perturbation (2004) (0)
- Model Self-Consistent Bands for Graphite Intercalation Compounds (1981) (0)
- Phonons and structural properties via total energy calculations (1981) (0)
- Abstract: Theory of reconstruction‐induced subsurface strain (1978) (0)
- Theory of Ballistic Electron Emission Microscopy Spectroscopy of NiSi2/Si(111) Interfaces (1991) (0)
- Optimizing Generalized Norm-Conserving Pseudopotentials (2011) (0)
- New Approach to Pseudopotential Construction (1996) (0)
- TheAbinitproject: Impact, environment and recent developments (2020) (0)
- New silicide interface model from structural energy calculations. (1988) (0)
- The role of active species in active screen plasma nitriding with addition of CH4 – spectroscopic and metallurgical study (2014) (0)
- Abstract: Electronic structure of Si and Ge surfaces—clean and with chemisorbed layers (1975) (0)
- Electronic Structure of Delta-Doped SrTiO_3 (2003) (0)
- Relativistic Optimized Norm-Conserving Vanderbilt Pseudopotentials (2014) (0)
- Silica --- a Material for the Generalized Gradient Approximation (1996) (0)
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