Site-Selective Adsorption of C Atoms on Al(111) Surfaces

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

1990 • 21,557 citations

Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

1994 • 19,605 citations

Ab initiomolecular dynamics for open-shell transition metals

1993 • 7,120 citations

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

1994 • 3,639 citations

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

1992 • 2,527 citations

Stability of the wurtzite-type structure under high pressure: GaN and InN

1994 • 867 citations

Analysis of separable potentials

1991 • 599 citations

Ab initiocalculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials

1994 • 390 citations

Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory

1994 • 249 citations

Theory of self-diffusion at and growth of Al(111)

1994 • 231 citations

Chemisorption of oxygen on aluminum surfaces

1984 • 197 citations

Lattice relaxation at metal surfaces: An electrostatic model

1980 • 152 citations

Surface Crystallographic Information Service

1987 • 88 citations

Chemical trends and bonding mechanisms for isloated adsorbates on Al(111)

1994 • 78 citations

Confirmation of an exception to the ‘‘general rule’’ of surface relaxations

1990 • 73 citations

Direct Imaging of Adsorption Sites and Local Electronic Bond Effects on a Metal Surface: C/Al(111)

1990 • 58 citations

Theory of Adsorbate Interactions

1989 • 56 citations

Cluster studies of the interaction of atoms and molecules with aluminum surfaces using total energy calculations

1986 • 31 citations