Pseudonatural Orbitals as a Basis for the Superposition of Configurations. II. Energy Surface for Linear H3

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Potential Energy Surface for H3

1964 • 665 citations

�ber den Grundzustand des Heliumatoms

1928 • 488 citations

The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules

1953 • 434 citations

Activation Energies from Bond Energies. I. Hydrogen Transfer Reactions

1963 • 386 citations

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

1966 • 359 citations

Electron Correlation in the Ground State of Helium

1961 • 305 citations

Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many-Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation

1964 • 235 citations

Theory of Separated Electron Pairs

1958 • 232 citations

Pseudonatural Orbitals as a Basis for the Superposition of Configurations. I. He2+

1966 • 192 citations

Automatic Fundamental Calculations of Molecular Structure

1956 • 191 citations

Variational Treatment of the HeH+ Ion and the β-Decay in HT

1965 • 164 citations

Reactions Involving Hydrogen Molecules and Atoms

1936 • 158 citations

The Energy of the Triatomic Hydrogen Molecule and Ion, V

1938 • 143 citations

Configuration Interaction in the Hydrogen Molecule—The Ground State

1960 • 141 citations

Van der Waals Forces in Atoms and Molecules

1964 • 136 citations

A Method of Diatomics in Molecules. II. H and H₃⁺¹

1963 • 132 citations

Natural Expansion of Exact Wavefunctions. II. The Hydrogen-Molecule Ground State

1962 • 132 citations

Configuration-Interaction Calculation of H3 and H2

1965 • 131 citations

I. Calculation of Energy of H3 Molecule

1936 • 110 citations

Gaussian Correlation Functions: Two-Electron Systems

1964 • 103 citations

Molecular Schrödinger Equation. IV. Results for One- and Two-Electron Systems

1964 • 89 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

The Absolute Rate of Homogeneous Atomic Reactions

1935 • 83 citations

Molecular Schrödinger Equation. VI. Results for H3 and Other Simple Systems

1967 • 82 citations

Energy Threshold for D+H2→DH+H Reaction

1966 • 71 citations

The use of Gaussian (exponential quadratic) wave functions in molecular problems. II. Wave functions for the ground states of the hydrogen atom and of the hydrogen molecule

1960 • 68 citations

The Structure of H3, H3+, and of H3—. IV

1937 • 54 citations

ELECTRON PAIRS IN THE BERYLLIUM ATOM¹

1962 • 52 citations

Calculation of the geometrical structure of some AHn molecules

1964 • 44 citations

Calculation of the Energy of H3 and of H3+. III

1937 • 38 citations

Energy Surface for the Linear H3 System

1965 • 37 citations

Zur Berechnung der Aktivierungsw�rme

1930 • 34 citations

Quantum Mechanics of the H3 Complex

1958 • 33 citations

Use of Nuclear Attraction Integral Approximations in Molecular Quantum Mechanics

1954 • 26 citations

Comment on the Activation Energy for the H +H2 Reaction

1964 • 23 citations

Two-Center Wavefunctions for ABHn Systems. Illustrative Calculations on H3+ and H3

1964 • 20 citations

Use of Electron Repulsion Integral Approximations in Molecular Quantum Mechanics

1954 • 20 citations

Pair Correlations in Closed-Shell Systems

1964 • 18 citations

Molecular Orbital Calculations for H3

1951 • 17 citations

Relation of Sinanoğlu's Theory of ``Exact Pairs'' to the First Iteration, beyond SCF, in Separated-Pair Theory

1963 • 17 citations

Activated Complex Energies

1957 • 15 citations

Single-Center Wavefunctions for H3+ and H3

1967 • 11 citations

Calculation of the Energies of Triatomic Hydrogen Using a Modified Roothaan Procedure

1958 • 10 citations

Application of Configuration Interaction to the H3 Complex

1957 • 10 citations

Magnetic Interaction of H3

1959 • 8 citations

Quantum mechanics of the H3 complex. Different orbitals for different spins

1964 • 7 citations