Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. IV. Basis Set Dependence in CO a3Φ

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium Hydride

1966 • 359 citations

Electronic Structure of CO and BF

1965 • 315 citations

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms

1964 • 245 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. I. Closed-Shell Molecules

1971 • 102 citations

Studies in Molecular Structure. VII. Limited Configuration Interaction for Selected First-Row Diatomics

1962 • 101 citations

Theoretical Study of the LiH Molecule

1968 • 92 citations

Quantum-Mechanical Calculations for the Electric Field Gradients and other Electronic Properties of Lithium Hydride: The Use of Mixed Orbital Sets

1964 • 85 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

Configuration Interaction Study of the Lithium Hydride Molecule

1962 • 72 citations

A study of the ground state wave function of carbon monoxide

1970 • 71 citations

Electronic Structure of the First Excited State of CO. I. SCF Wavefunction Calculated in the Restricted Hartree—Fock Formalism

1966 • 52 citations

Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O

1970 • 50 citations

Quadrupole Moment of Li

1971 • 43 citations

Calculated properties for no X2Π and A2Σ+

1972 • 43 citations

The calculation of the electric dipole moment of CO

2009 • 37 citations

Metastable a 3Π 13CO: Molecular-Beam Electric-Resonance Measurements of the Fine Structure, Hyperfine Structure, and Dipole Moment

1971 • 35 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. III. Open-Shell Molecules CO a3II and CS A 1II

1972 • 31 citations

Stark Effect of NaLi X 1Σ+

1971 • 31 citations

Incorrect Dissociation of CO in the Restricted Hartree–Fock Approximation

1970 • 30 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. II Fixed-Core Approximation

1971 • 14 citations

Configuration-Interaction Study of the Linear H3 System

1968 • 7 citations