Calculation of the total energy in the multiple scattering-Xα method. I. General theory

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

1972 • 1,172 citations

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

Scattered-Wave Theory of the Chemical Bond

1973 • 883 citations

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

1970 • 845 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

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

1972 • 305 citations

Hellmann-Feynman and Virial Theorems in the X α Method

1972 • 205 citations

On the use of overllapping spheres in the SCF Xα scattered-wave method

1973 • 152 citations

Multiple scattering by non-muffin-tin potentials: general formulation

1974 • 142 citations

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

1973 • 110 citations

Modified muffin tin potentials for the band structure of semiconductors

1971 • 106 citations

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

1972 • 104 citations

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

1971 • 80 citations

Local Exchange Approximation and the Virial Theorem

1969 • 57 citations

The use of general potentials in the band structure calculation

1971 • 52 citations

Non-Muffin-Tin Energy Bands for Silicon by the Korringa-Kohn-Rostoker Method

1970 • 47 citations

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

1972 • 35 citations

Approximate Numerical Hartree—Fock Method for Molecular Calculations

1971 • 34 citations

Multiple scattering by non-muffin-tin potentials

1972 • 29 citations

"Muffin-Tin" Potential in Band Calculations

1967 • 23 citations

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

2009 • 12 citations