Use of 1s Gaussian Wavefunctions for Molecular Calculations. I. The Hydrogen Atom and the Hydrogen Molecule Ion

The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation

1960 • 307 citations

The use of Gaussian (exponential quadratic) wave functions in molecular problems - I. General formulae for the evaluation of integrals

1960 • 283 citations

Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule Program

1960 • 234 citations

Gaussian Expansion of Hydrogen-Atom Wavefunctions

1963 • 201 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. I. Preliminary Investigations

1963 • 192 citations

HYDROGEN-ION WAVE FUNCTION

1929 • 102 citations

X-ray scattering by aggregates of bonded atoms. III. The bond scattering factor: simple methods of approximation in the general case

1953 • 96 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. II. The Ammonia Molecule

1963 • 85 citations

Hartree—Fock Approximation of CH4 and NH4+

1963 • 83 citations

Electronic Energy Levels of Molecular Oxygen

1953 • 73 citations

Ground State Electronic Wave Function of Methane

1960 • 62 citations

LCAO Wave Functions for Hydrogen Fluoride with Hartree-Fock Atomic Orbitals

1959 • 48 citations

Many-Center Wavefunctions for the Hydrogen Molecule and the Hydrogen Molecular Ion

1964 • 45 citations

Electronic Wave Functions for Polyatomic Molecules

1959 • 16 citations

Use of Gaussian Wave Functions in Molecular Calculations

1957 • 15 citations

Gaussian Orbitals for Many-Electron Molecular Wave Functions

1962 • 14 citations

1s Orbitals as Base Functions for Molecular Calculations

1957 • 12 citations

Use of Distorted Atomic Orbitals in Molecular Wave Functions

1961 • 11 citations

Use of Gaussian Orbitals for Atoms-in-Molecule Calculations

1961 • 6 citations

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