On the MC SCF theory of closed-shell systems

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

Improved Theoretical Ground-State Energy of the Hydrogen Molecule

1968 • 587 citations

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

1966 • 432 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Interaction Potential between Li and HF

1970 • 147 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

New Techniques for the Computation of Multiconfiguration Self-Consistent Field (MCSCF) Wavefunctions

1972 • 116 citations

Theoretical Study on the Proton Affinity of Small Molecules Using Gaussian Basis Sets in the LCAO–MO–SCF Framework

1968 • 103 citations

Methane as a Numerical Experiment for Polarization Basis Function Selection

1971 • 79 citations

Ab initio calculations on small hydrides including electron correlation

1973 • 74 citations

Multi-configuration self-consistent wavefunctions of formaldehyde

1969 • 65 citations

Valence shell calculations on polyatomic molecules

1971 • 61 citations

Multi‐configuration <scp>SCF</scp> calculations on LiH

1970 • 46 citations

Ab initio calculations on small hydrides including Electron correlation

1970 • 40 citations

Multi-configuration SCF calculations

1968 • 33 citations

Multiconfiguration self-consistent wavefunctions for CH4, C2H4 and C2H6

1973 • 31 citations

On the MC SCF theory of closed-shell systems

1973 • 18 citations

Two-By-Two Rotation Method Applied to Selected Multiconfiguration Wavefunctions

1972 • 16 citations

Direct minimization of the Hartree—Fock expectation value of the hamiltonian

1972 • 16 citations

Small gaussian basis sets in ab initio calculations

1971 • 16 citations

Molecular Orbital Theory and the Physical Properties of Molecules

1965 • 14 citations

Deleted Work

1955 • 0 citations