Seminumerical SCF calculations on small diatomic molecules

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Cusp Conditions for Molecular Wavefunctions

1966 • 480 citations

Analytical Self-Consistent Field Functions for the Atomic Configurations<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></…

1960 • 422 citations

NUMERICAL SOLUTION OF THE HARTREE–FOCK EQUATIONS

1963 • 250 citations

He–He Interaction in the SCF–MO Approximation

1968 • 211 citations

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

1967 • 196 citations

Hartree—Fock Parameters for the Atoms Helium to Radon

1966 • 136 citations

Electronic structure and properties of the ions AlH₄^-and PH₄⁺

1966 • 17 citations

One-Center Molecular Calculations with Unlimited Radial Basis. H2, HeH+, and LiH Centered on One Nucleus

1969 • 10 citations

One-Center Hartree-Fock Calculations for Diatomic Molecules by Numerical Integration of Differential Equations

1964 • 3 citations