Polyatomic SCF calculations with numerical orbitals. II. Methods to reduce integration and truncation error

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 citations

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

The Hartree-Fock Method for Atoms

1979 • 1,111 citations

Basis set selection for molecular calculations

1986 • 837 citations

Accurate Electronic Wave Functions for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1960 • 692 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 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

Methods in Computational Molecular Physics

1983 • 278 citations

Efficient Computation of the Complex Error Function

1970 • 274 citations

Fully numerical hartree-fock methods for molecules

1986 • 248 citations

Ab Initio Studies of Small Molecules Using 1s Gaussian Basis Functions. II. H3+

1967 • 109 citations

Theory of the Rydberg spectrum of triatomic hydrogen

1979 • 95 citations

Numerical hartree-fock methods for diatomic molecules: A partial-wave expansion approach

1986 • 77 citations

No linear dependence or many-center integral problems in momentum space quantum chemistry

1979 • 54 citations

Accurate Hartree–Fock wave functions without exponent optimization

1984 • 52 citations

Molecular wave functions in momentum space

1981 • 46 citations

Momentum eigenfunctions in the complex momentum plane. III. Hartree–Fock functions

1980 • 46 citations

Numerical solution of Hartree–Fock equations for a polyatomic molecule: Linear H₃ in momentum space

1984 • 39 citations

Power Series Expansion of Collision Amplitudes. Electrostatic Potentials

1972 • 32 citations

Polyatomic <scp>SCF</scp> calculations with numerical orbitals. I. Introduction and computational experiments on the CYBER 205

1987 • 26 citations

Direct momentum-space calculations for molecules

1985 • 19 citations

Momentum eigenfunctions in the complex momentum plane. II. Relation of secondary singular points to one-electron, local, potential functions

1979 • 19 citations

High-Density Nucleon Localization

1972 • 16 citations

Momentum eigenfunctions in the complex momentum plane. IV. The construction of local potential functions. Perturbation series

1981 • 6 citations