The low-lying states of hydrogen fluoride: Potential energy curves for the x 1Σ+, 3Σ+, 3Π, and 1Π states

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

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

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

Generalized valence bond description of bonding in low-lying states of molecules

1973 • 490 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

Theory of Atomic Structure Including Electron Correlation. I. Three Kinds of Correlation in Ground and Excited Configurations

1969 • 222 citations

Configuration interaction studies of O3 and O+3. Ground and excited states

1975 • 220 citations

Many-Electron Theory of Nonclosed-Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

1966 • 203 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Nature of the Configuration-Interaction Method inAb InitioCalculations. I. Ne Ground State

1970 • 165 citations

The Electronic Spectrum of HF. I. The B¹Σ⁺–X¹Σ⁺ Band System

1973 • 156 citations

Polarization CI wavefunctions: the valence states of the NH radical

1976 • 136 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Theoretical Potential Energy Curves for OH, HF+, HF, HF−, NeH+, and NeH

1972 • 100 citations

Electron Correlation and Separated-Pair Approximation. An Application to Berylliumlike Atomic Systems

1968 • 88 citations

The ultra-violet spectra of HF and DF

1959 • 70 citations

Accurate Potential Curves and Properties for the X 2π and A 2Σ+ States of LiO

1972 • 64 citations

Generalized valence bond calculations on the ground state (X 1Σ+g) of nitrogen

1976 • 63 citations

First-Order Wavefunctions, Orbital Correlation Energies, and Electron Affinities of First-Row Atoms

1969 • 63 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Correlation Energy of the Ground State of C

1970 • 38 citations

Theoretical Study of Several Electronic States of the Hydrogen Fluoride Molecule

1968 • 38 citations

Ultraviolet Absorption Spectrum of Gaseous Hydrogen Fluoride

1951 • 30 citations

Direct-recording absorption spectrometer in the windowless vacuum-ultraviolet: absorption spectra of He2, HF and N2

1969 • 16 citations

Prediction of molecular excited state properties, potential energy curves, and the non-closed shell many-electron theory

1973 • 15 citations

Multi-configuration self-consistent-field calculation of the dissociation energy and electronic structure of hydrogen fluoride

1974 • 13 citations

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