Systematic approach to extended even-tempered orbital bases for atomic and molecular calculations

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

1970 • 4,990 citations

Methods in Computational Physics

1964 • 2,231 citations

Methods in Computational Physics

1971 • 1,354 citations

General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation

1973 • 506 citations

Average-energy-of-configuration Hartree-Fock results for the atoms helium to radon charlotte froese fischer

1972 • 335 citations

Approximate Atomic Wavefunctions

1971 • 287 citations

The Hartree-Fock method for atoms: A numerical approach

1977 • 280 citations

Approximate Hartree-Fock Calculations for the Hydrogen Fluoride Molecule

1962 • 128 citations

Even-tempered atomic orbitals. VI. Optimal orbital exponents and optimal contractions of Gaussian primitives for hydrogen, carbon, and oxygen in molecules

1974 • 123 citations

Even-tempered atomic orbitals. III. Economic deployment of Gaussian primitives in expanding atomic SCF orbitals

1973 • 111 citations

The Hartree–Fock Method for Atoms: A Numerical Approach

1978 • 98 citations

Integral-Transform Gaussian Functions for Heliumlike Systems

1970 • 44 citations

Gaussian Functions in Molecular Integrals

1954 • 44 citations

Incorrect Dissociation of CO in the Restricted Hartree–Fock Approximation

1970 • 30 citations

The effect of p, d, and f Gaussian polarization functions on the computed one-electron properties of AH_n oxygen and sulfur hydrides

1978 • 25 citations

Optimal even-tempered gaussian atomic orbital bases: First-row atoms

2009 • 23 citations

Inverse Gaussian transforms: General properties and application to Slater-type orbitals with noninteger and integer n in the coordinate and momentum representations

1978 • 17 citations

Nonorthogonal atomic self-consistent field orbitals

1973 • 15 citations