International Journal

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

Authors

P. Jeffrey Hay, Willard R. Wadt

Journal

The Journal of Chemical Physics

Year Published

1985

Publisher

American Institute of Physics

Citations

15575 citations

Type

Article

Language

EN

Topics & Concepts

Atomic orbital (0.73) Molecular orbital (0.67) Valence (chemistry) (0.63) Atomic physics (0.59) Core electron (0.56)

Abstract

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals - Full text available via OpenAlex

Author Details

P. Jeffrey Hay

Willard R. Wadt

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