Improvements on the direct SCF method

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Convergence acceleration of iterative sequences. the case of scf iteration

1980 • 2,376 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Evaluation of molecular integrals over Gaussian basis functions

1976 • 753 citations

Principles for a direct <scp>SCF</scp> approach to <scp>LICAO</scp>–<scp>MO</scp>ab‐initio calculations

1982 • 703 citations

The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials

1951 • 565 citations

Molecular symmetry and closed‐shell <scp>SCF</scp> calculations. I

1977 • 177 citations

AB initio studies on the thermodynamic stability of the icosahedral C60 molecule “buckminsterfullerene”

1987 • 174 citations

Methods for efficient evaluation of integrals for Gaussian type basis sets

1974 • 122 citations

On the use of symmetry in SCF calculations

1970 • 87 citations

An unconventional scf method for calculations on large molecules

1986 • 71 citations

Use of molecular symmetry in <scp>SCF</scp> calculations

1973 • 68 citations

Integral evaluation algorithms and their implementation

1983 • 44 citations

Evaluation and Processing of Integrals

1984 • 11 citations