The BERKELEY system. III. General configuration‐interaction methods for open‐shell molecular electronic states

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

The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

1975 • 2,416 citations

A new method for large-scale Cl calculations

1972 • 507 citations

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

1970 • 260 citations

The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices

1973 • 199 citations

Algorithm for Diagonalization of Large Matrices

1965 • 178 citations

All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene

1975 • 163 citations

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

1962 • 137 citations

Calculated Potential-Energy Curves for C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1972 • 133 citations

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

Electronic Wave Functions for Atoms. I. Ground State of Be

1968 • 130 citations

A theory of self-consistent electron pairs. Computational methods and preliminary applications

1976 • 125 citations

Configuration interaction calculations on the planar 1(π,π*) state of ethylene

1977 • 124 citations

Theoretical study of curve crossing: ab initio calculations on the four lowest 1Σ+ states of LiF

1974 • 120 citations

C 2υ Potential Energy Surfaces for Seven Low-Lying States of CH2

1971 • 88 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

Convergence studies in configuration interaction calculations

1968 • 83 citations

Triplet electronic ground state of trimethylenemethane

1974 • 79 citations

Construction of the hamiltonian matrix in large configuration interaction calculations

1973 • 78 citations

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

1970 • 69 citations

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

1976 • 63 citations

N (1A g), T (3B1u), and V (1B1u) states of vertical ethylene

1978 • 62 citations

Generalized valence bond studies of the electronic states of methylenenickel and methylnickel

1977 • 58 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

Metal-carbene complexes and the possible role of hydroxycarbene in formaldehyde laser photochemistry

1978 • 49 citations

Formulation of the direct configuration interaction method for triplet spin states. Applications to glyoxal

1978 • 42 citations

Selection of terms for a CI wavefunction to preserve potential surface features

1977 • 41 citations

A model transition metal-carbene system MnCH₂

1977 • 20 citations

Large scale scientific computation via minicomputer

1977 • 17 citations

Computational Chemistry: Getting More from a Minicomputer

1976 • 17 citations

BERKELEY: An “open ended” Configuration Interaction (CI) program designed for minicomputers

1978 • 17 citations

Minicomputers for quantum chemists

1977 • 6 citations

Theoretical Chemistry via Minicomputer

1977 • 6 citations