Ab initio calculations of small hydrides including electron correlation

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 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

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

1966 • 432 citations

Studies in Configuration Interaction: The First-Row Diatomic Hydrides

1969 • 395 citations

Atomic Bethe-Goldstone Equations. I. The Be Atom

1967 • 200 citations

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

1970 • 165 citations

Direct Calculation of Approximate Natural Orbitals and Natural Expansion Coefficients of Atomic and Molecular Electronic Wavefunctions. II. Decoupling of the Pair Equations and Calculation of the Pair Correlation Energies for the Be and LiH Ground States

1968 • 143 citations

Die L�sung des quantenmechanischen Zwei-Elektronenproblems durch unmittelbare Bestimmung der nat�rlichen Einelektronenfunktionen

1963 • 137 citations

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

The absorption spectrum of BH and BD in the vacuum ultraviolet

1964 • 128 citations

Bemerkungen zum Self-consistent-field-Verfahren und zur Methode der Konfigurationenwechselwirkung in der Quantenchemie

1956 • 126 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Near hartree-fock energy and equilibrium geometry of CH+5

1970 • 95 citations

Electron Correlation and Separated Pair Approximation in Diatomic Molecules. II. Lithium Hydride and Boron Hydride

1970 • 88 citations

Ab initio calculations on small hydrides including electron correlation

1968 • 74 citations

Quantum Theory of Atoms, Molecules and the Solid State

1968 • 67 citations

Pair Correlations and the Electronic Structure of Neon

1970 • 60 citations

Optimized Valence Configurations and the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1970 • 53 citations

Many-Center Wavefunctions for the Hydrogen Molecule and the Hydrogen Molecular Ion

1964 • 45 citations

The electronic structure and molecular properties of boron hydride in its ground and excited states

1969 • 44 citations

Ab-Initio Calculations of Small Hydrides including electron correlation

1968 • 42 citations

Unitary transformations and pair energies

1969 • 30 citations

Invariance of inner shell correlation energy with geometry changes in a polyatomic molecule

1970 • 29 citations

A new type of wavefunction for BH

1970 • 19 citations

Uses of pair energy techniques in molecular calculations: The ammonia molecule

1970 • 8 citations