Bands, Bonds, and Boundaries

Quantum Mechanics

1961 • 16,366 citations

Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium

1954 • 1,734 citations

On the calculation of the energy of a Bloch wave in a metal

1947 • 1,490 citations

Analytic Hartree-Fock Solutions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mo>=</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1958 • 552 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Nonintegral Occupation Numbers in Transition Atoms in Crystals

1969 • 274 citations

Comparison of Several Exchange Potentials for Electrons in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>Ion

1969 • 241 citations

Quantum Theory of Matter

1977 • 190 citations

Wave Functions for Impurity Levels

1954 • 154 citations

Suggestions from Solid-State Theory Regarding Molecular Calculations

1965 • 120 citations

Molecular Orbitals and Inner-Electron-Shell Chemical Shifts for Sulfur and Chlorine Oxy-anions

1967 • 110 citations

Calculation of the Band Structure of "Complex" Crystals

1957 • 100 citations

Studies in perturbation theory

1964 • 96 citations

Scattering Model of Molecular Electronic Structure

1969 • 70 citations

Ab initio calculations, using a small Gaussian basis set, of the electronic structure of the sulphate ion

1970 • 51 citations

Electronic Structure of Sulfate, Thiosulfate, and Related Ions. II. ESR Spectra of SO4− and S2O3−

1966 • 43 citations

Electronic Structure of Sulfate, Thiosulfate, and Related Ions. I. Calculation of Molecular Orbital Energy Levels

1966 • 42 citations

Scattering Model of Molecular Electronic Structure

1969 • 16 citations

Scattering model for the bound electronic states of an impurity complex in a crystal

2009 • 13 citations

On calculating the localized electronic states of surface and line defects

1968 • 8 citations