Investigation of the muffin-tin approximations for potential and charge density in the MS-X? method by means of calculations of H2O

A Simplification of the Hartree-Fock Method

1951 • 4,355 citations

Atomic Structure Calculations

1964 • 4,027 citations

Atomic Radii in Crystals

1964 • 2,078 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

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

1947 • 1,490 citations

Statistical Exchange-Correlation in the Self-Consistent Field

1972 • 1,008 citations

Scattered-Wave Theory of the Chemical Bond

1973 • 883 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

466. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part I. AH2 molecules

1953 • 540 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

1973 • 403 citations

Ionization energies of water from PNO-CI calculations

2009 • 402 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Nonintegral Occupation Numbers in Transition Atoms in Crystals

1969 • 274 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

Hellmann-Feynman and Virial Theorems in the X α Method

1972 • 205 citations

Calculation of molecular ESCA spectra by the multiple-scattering-Xα method

1973 • 110 citations

Total Energy in the Multiple Scattering Formalism: Application to the Water Molecule

1972 • 104 citations

Scattering Model of Molecular Electronic Structure

1969 • 70 citations

Self-consistent-field × α cluster calculations for the ground state Ne2 molecule

1972 • 35 citations

The SCF-Xα Scattered-Wave Method

1973 • 34 citations

Approximate Numerical Hartree—Fock Method for Molecular Calculations

1971 • 34 citations

Electronic structure calculations for large planar molecules by SCF-scattered wave method

1973 • 32 citations

A study of the ground states of N2, O2, and F2 and their ESCA spectra by the multiple scattering Xα method

2009 • 23 citations

Calculations of potential barriers using the SCF Xα SW method NH3 and H2O2

1973 • 19 citations

Determination of the Internal Rotation Barrier in Ethane by the SCF-Xα Scattered-Wave Method

1972 • 18 citations

Scattering Model of Molecular Electronic Structure

1969 • 16 citations

Methane calculations using the multiple-scattering technique with x α exchange

2009 • 12 citations