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

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids

1975 • 885 citations

Water Molecule Interactions

1970 • 620 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

Atomic and molecular calculations with the model potential method. I

1974 • 339 citations

Ab initioeffective potentials for use in molecular quantum mechanics

1974 • 183 citations

Fe and Ni AB initio effective potentials for use in molecular calculations

1974 • 149 citations

New atomic pseudopotentials for electronic structure calculations of molecules and solids

1974 • 98 citations

Energy-Term Calculations with Hellmann-Type Pseudopotential

1965 • 94 citations

Atomic and Molecular Calculations with the Pseudopotential Method. I. The Binding Energy and Equilibrium Internuclear Distance of the Na2 Molecule

1966 • 76 citations

Atomic and molecular calculations with the model potential method. II

1975 • 75 citations

Atomic and molecular calculations with the model potential method. III

1975 • 73 citations

Accuracy and limitations of the pseudopotential method

1974 • 61 citations

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

1972 • 59 citations

�ber eine vereinfachte Formulierung der Besetzungsvorschrift der Quantenzust�nde von Atomen und deren Anwendung zur Bestimmung der Atomterme

1941 • 54 citations

Pseudopotential SCF method for valence-only molecular calculations

1975 • 49 citations

Valence electronic structure and internal rotation barrier of the molecules XH3YH3 (X, Y = carbon, silicon, germanium) by a pseudopotential method

1976 • 23 citations

Pseudo-potentiel et orbitales moléculaires délocalisées. Application aux molécules de méthane, éthylène et acétylène

1974 • 8 citations

On radial weighting effects in gaussian expansions of self-consistent field atomic orbitals

1973 • 6 citations