On damping in self-consistency cycling procedures

Methods of Theoretical Physics

1954 • 13,575 citations

Electron interaction in unsaturated hydrocarbons

1953 • 2,020 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 • 1,947 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

The Calculation of Atomic Structures

1960 • 648 citations

The calculation of atomic structures

1958 • 459 citations

Valence orbital ionization potentials from atomic spectral data

1965 • 364 citations

The Dipole Moments of Fulvene and Azulene

1949 • 233 citations

The density matrix in self-consistent field theory I. Iterative construction of the density matrix

1956 • 197 citations

Semiempirical Molecular Orbital Calculations. I. The Electronic Structure of H₂O and H₂S

1966 • 126 citations

Molecular Orbital Theory of Spectra of Cr3+ Ions in Crystals

1963 • 90 citations

Hyperconjugation and Spectrum of the Benzenium Ion, Prototype of Aromatic Carbonium Ions¹

1954 • 89 citations

Basicities of the Methyl Benzenes. I. Hyperconjugation in the LCAO-MO Framework

1961 • 23 citations

Comparisons of the H�ckel and Pariser-Parr-Pople-type MO methods: Closed forms for SCF charge distributions and bond orders

1966 • 5 citations

A CLOSED FORM ANALYSIS OF THE LCAO-MO ι-TECHNIQUE. II. MECHANICS OF THE TECHNIQUE

1962 • 4 citations