Non-muffin-tin charge density corrections to multiple-scattering-Xα-method

Statistical Exchange-Correlation in the Self-Consistent Field

1972 • 1,008 citations

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>Cluster Method for Polyatomic Molecules and Solids

1972 • 891 citations

Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials

1970 • 845 citations

Chemical Bonding of a Molecular Transition-Metal Ion in a Crystalline Environment

1972 • 305 citations

A method for numerical integration

1961 • 200 citations

Single-Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2

1967 • 196 citations

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

1972 • 104 citations

Hartree—Fock Approximation of CH4 and NH4+

1963 • 83 citations

Calculation of the ionization energies of the sulphur hexafluoride molecule by the multiple scattering method

1971 • 80 citations

Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6

1967 • 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

Ms-Zα calculation of the energy-level structure of XeF6

1972 • 19 citations

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

1972 • 18 citations

Self-consistent one-electron calculation of the zero-temperature cohesive properties of solid argon

1972 • 8 citations