Self-Consistent Molecular Orbital Methods. VI. Energy Optimized Gaussian Atomic Orbitals

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

`` Direct Search'' Solution of Numerical and Statistical Problems

1961 • 4,193 citations

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Optimum Seeking Methods

1965 • 712 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

1969 • 284 citations

Gaussian Expansions of Atomic Orbitals

1966 • 198 citations

Electronic States of the Amide Group

1967 • 196 citations

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

1969 • 146 citations

Study of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction

1967 • 145 citations

Small Gaussian Expansions of Atomic Orbitals

1969 • 128 citations

Barrier to Internal Rotation in Ethane

1966 • 113 citations

Heats of reaction from self-consistent-field energies of closed-shell molecules

1969 • 97 citations

Ethylene Molecule in a Gaussian Basis. II. Contracted Bases

1967 • 67 citations

Gaussian-Orbital Basis Sets for the First-Row Transition-Metal Atoms

1969 • 59 citations

Gaussian Lobe Function Expansions of Hartree–Fock Solutions for the Second-Row Atoms

1969 • 56 citations

Internal Rotation in Butane

1968 • 32 citations