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

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

A Simplification of the Hartree-Fock Method

1951 • 4,355 citations

ESCA applied to free molecules

1969 • 2,132 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 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

Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion

1954 • 628 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

``Multiple-Scattering'' Model for Polyatomic Molecules

1966 • 427 citations

Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

1972 • 328 citations

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

1972 • 305 citations

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

1968 • 291 citations

Core-Electron Binding Energies and Slater Atomic Shielding Constants

1971 • 170 citations

ESCA studies of CO2, CS2 and COS

1972 • 169 citations

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

1972 • 104 citations

Direct Near-Hartree–Fock Calculations on the 1s Hole States of NO+

1971 • 94 citations

The electronic structure of carbon suboxide from ESCA and AB initio calculations

1971 • 83 citations

Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4

1967 • 82 citations

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

1971 • 80 citations

Scattered-wave model for the electronic structure and optical properties of the permanganate ion

1971 • 68 citations

SCF calculations of the electronic structures of the sulfate and perchlorate ions by the scattered-wave model

1970 • 60 citations

Ab Initio Calculation of the Electronic Structure of Carbon Suboxide

1972 • 35 citations

Approximate Numerical Hartree—Fock Method for Molecular Calculations

1971 • 34 citations

Vacuum-Ultraviolet Absorption Spectrum of Carbon Suboxide. II. The Effect of Low Temperature and the Effect of High Pressure of an Inert Gas on the 1780-Å Band

1971 • 25 citations

On the contribution of orbital relaxation to ESCA chemical shifts

1970 • 24 citations

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

2009 • 12 citations

Green's-Function Method with ``Non-muffin-tin'' Potentials for Molecules and Clusters

1972 • 11 citations