Researcher profile · Semantic Scholar

D. Hamann

h-index: 59
Works: 168
Citations: 29K

Most-cited papers

Theory of the scanning tunneling microscope.
J. Tersoff, D. Hamann
1985Physical Review B (Condensed Matter)3,357 citations
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Optimized norm-conserving Vanderbilt pseudopotentials
D. Hamann
20132,376 citations Open access
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ABINIT: First-principles approach to material and nanosystem properties
X. Gonze, B. Amadon, P. Anglade, J. Beuken +29 more
2009Computer Physics Communications2,336 citations Open access
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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
Michiel J. van Setten, M. Giantomassi, E. Bousquet, M. Verstraete +3 more
2017Computer Physics Communications2,144 citations Open access
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Pseudopotentials that work: From H to Pu
G. B. Bachelet, D. Hamann, M. Schlüter
19822,113 citations
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Theory and Application for the Scanning Tunneling Microscope
J. Tersoff, D. Hamann
19831,936 citations Open access
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Reproducibility in density functional theory calculations of solids
K. Lejaeghere, G. Bihlmayer, T. Björkman, P. Blaha +65 more
2016Science1,485 citations Open access
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Recent developments in the ABINIT software package
X. Gonze, F. Jollet, Flavio Abreu Araujo, Donat Adams +51 more
2016Computer Physics Communications811 citations Open access
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Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory
Xifan Wu, D. Vanderbilt, D. Hamann
2005625 citations Open access
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Direct Fabrication of Large Micropatterned Single Crystals
J. Aizenberg, D. Muller, J. Grazul, D. Hamann
2003Science420 citations
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Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement
E. Isaacs, A. Shukla, P. Platzman, D. Hamann +2 more
1999327 citations
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ABINIT: Overview and focus on selected capabilities.
A. Romero, D. C. Allan, B. Amadon, G. Antonius +39 more
2020Journal of Chemical Physics311 citations Open access
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Metric tensor formulation of strain in density-functional perturbation theory
D. Hamann, Xifan Wu, K. Rabe, D. Vanderbilt
2004254 citations Open access
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Electronic Structure of a "Poisoned" Transition-Metal Surface
P. Feibelman, D. Hamann
1984208 citations
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Modification of transition metal electronic structure by P, S, Cl, and Li adatoms
P. Feibelman, D. Hamann
1985184 citations
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H 2 O hydrogen bonding in density-functional theory
D. Hamann
1997174 citations
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Electronic structure of Ba Pb 1 − x Bi x O 3
L. Mattheiss, D. Hamann
1983174 citations
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New classical models for silicon structural energies.
R. Biswas, D. Hamann
1987Physical Review B (Condensed Matter)133 citations
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Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W.
L. F. Mattheiss, D. Hamann
1986Physical Review B (Condensed Matter)130 citations
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Vibrational frequencies and structural properties of transition metals via total-energy calculations
K. Ho, Chong L. Fu, B. Harmon, W. Weber +1 more
1982123 citations Open access
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Diffusion of Atomic Oxygen in SiO 2
D. Hamann
1998120 citations
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Surface Charge Densities and Atom Diffraction
D. Hamann
1981102 citations
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Bonding and structure of CoSi2 and NiSi2
J. Tersoff, D. Hamann
198393 citations
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Total-energy calculations for Si with a first-principles linear-combination-of-atomic-orbitals method
B. Harmon, W. Weber, D. Hamann
198291 citations
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Theory of H bonding and vibration on Pt(111)
P. Feibelman, D. Hamann
198786 citations
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Bulk and surface electronic structure of hexagonal WC
L. Mattheiss, D. Hamann
198483 citations
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Erratum: Optimized norm-conserving Vanderbilt pseudopotentials [Phys. Rev. B 88, 085117 (2013)]
D. Hamann
201782 citations Open access
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Electronic structure of the tungsten (001) surface
L. Mattheiss, D. Hamann
198478 citations
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Quantum-size effects in work functions of free-standing and adsorbed thin metal films
P. Feibelman, D. Hamann
198478 citations
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Physics and chemistry of silicon wafer bonding investigated by infrared absorption spectroscopy
M. Weldon, Y. Chabal, D. Hamann, S. Christman +2 more
199671 citations
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Geometry and Electronic Structure of Cl on the Cu {001} Surface
P. Citrin, D. Hamann, L. Mattheiss, J. Rowe
198268 citations
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Infrared spectroscopy as a probe of fundamental processes in microelectronics : silicon wafer cleaning and bonding
M. Weldon, V. Marsico, Y. Chabal, D. Hamann +2 more
199662 citations
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Compton scattering evidence for covalency of the hydrogen bond in ice
E. Isaacs, A. Shukla, P. Platzman, D. Hamann +2 more
200059 citations
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Energetics of silicon suboxides
D. Hamann
200059 citations
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Energies of strained silica rings
D. Hamann
199759 citations
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Electronic- and crystal-structure effects on superconductivity in the BaPb/sub 1-x/Bi/sub x/O/sub 3/ system
L. Mattheiss, D. Hamann
198259 citations
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Photoemission and band-structure results for NiSi2
Y. Chabal, D. Hamann, J. Rowe, M. Schlüter
198259 citations
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Lattice-polarization effects on electron-gas charge densities in ionic superlattices
D. Hamann, D. Muller, H. Hwang
200650 citations Open access
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Ballistic electron transmission through interfaces.
M. Stiles, D. Hamann
1988Physical Review B (Condensed Matter)50 citations
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Maximally localized Wannier functions for GW quasiparticles
D. Hamann, D. Vanderbilt
200848 citations Open access
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Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials.
M. Verstraete, Joao Abreu, G. Allemand, B. Amadon +71 more
2025Journal of Chemical Physics45 citations Open access
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LAPW calculations of Rh(001) surface relaxation
P. Feibelman, D. Hamann
199042 citations
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Self-consistent charge densities, band structures, and staging energies of graphite intercalation compounds
S. Safran, D. Hamann
198139 citations
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Analysis of Co-Cu bonding by observation of interface states on Cu/Ru bimetallic surfaces
J. Houston, C. Peden, P. Feibelman, D. Hamann
198735 citations
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Electronic structure of a Pd monolayer on Nb(110)
M. El-Batanouny, D. Hamann, S. Chubb, J. Davenport
198335 citations
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Theory of H bonding and vibration on Ru(0001)
P. Feibelman, D. Hamann
198731 citations
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Comparison of global and local adaptive coordinates for density-functional calculations
D. Hamann
200030 citations Open access
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Diffusive behavior of states in the Hubbard-Stratonovitch transformation.
S. Fahy, D. Hamann
1991Physical Review B (Condensed Matter)28 citations
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Electronic band properties of Ba_{2}Tl_{2}CuO_{6}
D. Hamann, L. Mattheiss
198828 citations
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Geometry of the Ag)001)-c(2 x 2)Cl structure as as determined by He diffraction
M. Cardillo, G. E. Becker, D. Hamann, J. A. Serri +2 more
198328 citations
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F. Jollet

×5

G. Rignanese×5

B. Amadon×4

F. Bruneval×4

D. Caliste×4

M. Torrent×4

M. Verstraete×4

J. Beuken×3