Frozen core approximation, a pseudopotential method tested on six states of NaH

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

Tables of Atomic Functions

1965 • 551 citations

A New Approximation Method in the Problem of Many Electrons

1935 • 483 citations

Ab Initio Effective Potentials for Use in Molecular Calculations

1972 • 145 citations

Use of Pseudopotentials in Atomic-Structure Calculations

1968 • 108 citations

�ber die metallische Bindung

1935 • 95 citations

Energy-Term Calculations with Hellmann-Type Pseudopotential

1965 • 94 citations

MCSCF calculations for six states of NaH

1975 • 89 citations

Atomic and Molecular Calculations with the Pseudopotential Method. II. Exact Pseudopotentials for Li, Na, K, Rb, Be+, Mg+, Ca+, Al++, Cu, and Zn+

1967 • 77 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 Pseudopotential Method. IV. Excited Atomic Valence-Electron Energy Values, Wavefunctions, and Oscillator Strengths

1969 • 58 citations

Atomic and Molecular Calculations with the Pseudopotential Method. III. The Theory of Li2, Na2, K2, LiH, NaH, and KH

1968 • 57 citations

Pseudopotential Theory of Atoms and Molecules. I. A New Method for the Calculation of Correlated Pair Functions

1968 • 57 citations

Simulation of the influence of the core electrons by a pseudopotential I. atoms with one and two valence electrons

1968 • 43 citations

Simulation of the influence of the core electrons by a pseudopotential.

1969 • 35 citations

Approach to Partially Predetermining Molecular Electronic Structure. The Li He Interaction Potential

1972 • 33 citations

Simulation of the influence of core electrons by a pseudopotential II

1969 • 17 citations

Calculated f, g, and h Single-Valence-Electron Atomic States with Exact Exchange for Al2+, Ca+, and Rb

1969 • 8 citations