Study of the diamond (100) surface using the self-consistent-field extended tight-binding method

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

�ber die Quantenmechanik der Elektronen in Kristallgittern

1929 • 3,080 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Electronic structure of primary solid solutions in metals

1954 • 1,202 citations

Bond-orbital model. II

1974 • 277 citations

Photoemission Densities of Intrinsic Surface States for Si, Ge, and GaAs

1972 • 256 citations

Surface States and Surface Bonds of Si(111)

1973 • 254 citations

Observation of a Band of Silicon Surface States Containing One Electron Per Surface Atom

1972 • 246 citations

Self-Consistent Electronic Structure of Solid Surfaces

1972 • 242 citations

Ab InitioCalculation of the Electronic Structure and Optical Properties of Diamond Using the Discrete Variational Method

1971 • 205 citations

Energy Band Structure of Lithium by the Tight-Binding Method

1966 • 169 citations

Band Structure and Optical Properties of Diamond

1966 • 150 citations

Computational Methods in Band Theory

1972 • 148 citations

LCAO studies of hydrogen chemisorption on nickel

1976 • 127 citations

Interpretation of the photoemission spectrum of chemisorbed carbon monoxide on Ni (100)

1975 • 125 citations

Application of the Gaussian-Type Orbitals for Calculating Energy Band Structures of Solids by the Method of Tight Binding

1970 • 119 citations

Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces

1975 • 118 citations

Application of the Method of Tight Binding to the Calculation of the Energy Band Structures of Diamond, Silicon, and Sodium Crystals

1971 • 116 citations

Band structure, cohesive energy, optical conductivity, and Compton profile of lithium

1974 • 115 citations

Intrinsic Surface States in Semiconductors. I. Diamond-Type Crystals

1969 • 100 citations

Measurement of the Angle of Dangling-Bond Photoemission from Cleaved Silicon

1974 • 100 citations

The Si (100) surface: A theoretical study of the unreconstructed surface

1975 • 88 citations

Intrinsic surface states of (110) surfaces of group IV and III-V semiconductors

1974 • 86 citations

Cluster model calculations for electronic energy levels of oxygen chemisorbed on Ni

1975 • 78 citations

A theoretical interpretation of photoelectron energy spectra for oxygen chemisorbed on nickel

1974 • 77 citations

Overlap effects in the theory of adsorption using Anderson's Hamiltonian

1970 • 71 citations

Bonding of Ethylene to Diatomic Nickel according to a Self-Consistent-Field,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>, Scattered-Wave Model

1974 • 70 citations

Intrinsic (111) surface states of Ge, GaAs, and ZnSe

1975 • 69 citations

Electronic energy level structure calculations of chemisorbed CO on Ni (100)

1975 • 68 citations

Cluster model calculation and photoemission studies of molecularly adsorbed NO on Ni

1976 • 64 citations

Study of the Surface States of Diamond and Graphite by a Simple MO-LCAO Method

1960 • 62 citations

New Method of Calculating Bulk and Surface States in Thin Films

1972 • 61 citations

Energy Bands in Diamond

1966 • 59 citations

Effect of Relaxation and Reconstruction on the Electronic-Energy-Level Structure of the Si(111) Surface

1975 • 50 citations

Electronic structure of the (111) surface of semiconductors

1975 • 48 citations

Electronic States of CO Adsorbed onto Ni

1976 • 39 citations

New interpretation of the angular-resolved photoemission measurements from cleaved silicon

1976 • 36 citations

Orthogonalized-Plane-Wave Convergence of Some Tetrahedral Semiconductors

1970 • 35 citations

Band Structure and Interband Optical Absorption in Diamond

1968 • 34 citations

Possible Validity of the Relativistic Hartree-Fock Approximation in Nuclear Physics

1972 • 31 citations

Commentary on the Effect of Relaxation on the Electronic-Energy-Level Structure of the Si(111) Surface

1976 • 25 citations

A bond orbital model investigation of the surface electronic energy structure of Si(111)

1975 • 19 citations

A comparative study of the (111), (110) and (100) surfaces of silicon using the local density of states method applied to the bond orbital model

1976 • 17 citations

Cluster model electronic structure calculations for the ideal and hydrogen chemisorbed Si (100) surfaces

1976 • 17 citations

Effects of the 2 × 1 reconstruction on the electronic structure of the (111) surface of Si and Ge

1975 • 15 citations

The Bond Orbital Model Study of the Valence Bands of Cubic‐Tetrahedrally Coordinated Semiconductors

1975 • 12 citations

Some Applications of the Bond Orbital Model

1974 • 3 citations