Pseudopotential calculations: some electronic properties of zinc dichloride

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1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets

1976 • 617 citations

The Bonding of Trihalide and Bifluoride Ions by the Molecular Orbital Method

1951 • 610 citations

A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

1976 • 451 citations

467. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part II. Non-hydride AB2 and BAC molecules

1953 • 401 citations

Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited States

1972 • 59 citations

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1974 • 56 citations

Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane

1977 • 28 citations

Walsh diagram for zinc difluoride

1972 • 22 citations

Angular momentum dependence of pseudopotentials: calculation of the potential curve for HF

1977 • 14 citations