Generalization of the basis functions of the LCAO method for band-structure calculations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Energy Bands of Alkali Metals. I. Calculated Bands

1962 • 301 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

Electronic structure of large molecular systems

1966 • 199 citations

Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel

1973 • 183 citations

Energy Band Structure of Lithium by the Tight-Binding Method

1966 • 169 citations

Energy Bands in Ferromagnetic Iron

1973 • 150 citations

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

1970 • 119 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

Energy Band Structure of Lithium Fluoride Crystals by the Method of Tight Binding

1971 • 101 citations

Energy Bands in Paramagnetic Chromium

1973 • 88 citations

Calculation of the electronic energy band structure of polyethylene

1973 • 61 citations

Energy Bands in Diamond

1966 • 59 citations

Augmented-Plane-Wave Hartree-Fock First-Principles Calculation of the Fermi Surfaces of Li, Na, and K

1973 • 54 citations

Interband Optical Conductivity of Potassium

1973 • 33 citations

Application of bonding molecular orbitals to the valence bands of diamond

1973 • 9 citations