Configuration Interaction Description of Electron Correlation

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

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

The Theory of Atomic Spectra

1935 • 2,476 citations

Structure of Fermion Density Matrices

1963 • 1,434 citations

The Theory of Complex Spectra

1929 • 1,198 citations

�ber den Grundterm der Zweielektronenprobleme von H?, He, Li+, Be++ usw.

1930 • 777 citations

Natural Orbitals in the Quantum Theory of Two-Electron Systems

1956 • 648 citations

The Ground State of the Hydrogen Molecule

1933 • 609 citations

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

1962 • 523 citations

Ab initio potential energy surface for linear H3

1973 • 522 citations

The Principles of Quantum Mechanics

2011 • 460 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

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

1966 • 359 citations

The Assignment of Quantum Numbers for Electrons in Molecules. I

1928 • 326 citations

Electronic Wavefunctions for Atoms. III. Partition of Degenerate Spaces and Ground State of C

1970 • 260 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

Properties and Uses of Natural Orbitals

1972 • 220 citations

Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne

1968 • 210 citations

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

1966 • 192 citations

Algorithm for Diagonalization of Large Matrices

1965 • 178 citations

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

1970 • 165 citations

Low Electronic States of Simple Heteropolar Diatomic Molecules: III. Hydrogen and Univalent Metal Halides

1937 • 159 citations

Role of the Continuum in Superposition of Configurations

1955 • 140 citations

The Normal Constants of Motion in Quantum Mechanics Treated by Projection Technique

1962 • 137 citations

Long-range interaction of two ls-hydrogen atoms expressed in terms of natural spin-orbitals

1959 • 134 citations

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

1962 • 132 citations

Eigenvalues of Density Matrices

1961 • 130 citations

First Excited 1Σg+ State of the Hydrogen Molecule

1961 • 115 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Calculation of the electronic spectrum of formaldehyde

1971 • 101 citations

A configuration interaction study of the spin dipole‐dipole parameters for formaldehyde and methylene

1973 • 97 citations

Theoretical Study of the LiH Molecule

1968 • 92 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

Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices

1970 • 69 citations

Theory of the Hyperfine Splittings of Pi-Electron Free Radicals. II. Nonempirical Calculations of Methyl Radical (Planar)

1970 • 66 citations

Theoretical Study of the BeH Molecule

1968 • 61 citations

Natural Orbitals

1972 • 60 citations

Long-range interaction of two 1s-hydrogen atoms expressed in terms of natural spin-orbitals

1965 • 55 citations

Mathematical Problems in the Complete Quantum Predictions of Chemical Phenomena

1960 • 55 citations

An Ab Initio calculation of the spin dipole‐dipole parameters for methylene

1973 • 55 citations

Correlation Energy Calculation for the 1Σg+ Ground State of the Nitrogen Molecule

1965 • 50 citations

Zero-Field Parameters of ``Free'' CH2: Spin—Orbit Contributions in Xenon

1971 • 30 citations

Pi-Electron Correlation in the Polyenes

1958 • 26 citations

Theory of the Proton Hyperfine Splittings of Pi-Electron Free Radicals. I. The CH Fragment

1968 • 23 citations

The symmetry behaviour of the first-order density matrix and its natural orbitals for linear molecules

1970 • 11 citations

Cited By (0)

Loading...