Molecular MCSCF calculations by direct minimization

Introduction to matrix computations

1973 • 2,448 citations

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

1971 • 2,165 citations

Handbook for Automatic Computation

1971 • 535 citations

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

1966 • 422 citations

Ionization energies of water from PNO-CI calculations

2009 • 402 citations

Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy

1970 • 297 citations

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

1968 • 291 citations

Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion

1972 • 248 citations

A b i n i t i o SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree–Fock limit

1975 • 167 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

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Molecular MCSCF calculations by direct minimization

1975 • 20 citations

Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison

1970 • 16 citations