article
Pseudopotentials for main group elements (IIIa through VIIa)
Molecular Physics · 1988 · Vol. 65(6) · pp. 1321–1328
G. Igel-Mann✉(University of Stuttgart)Hermann Stoll(University of Stuttgart)H. Preuß(University of Stuttgart)
Abstract
Semiempirical pseudopotentials including core-polarization potentials have been generated for main group elements IIIa through VIIa, with main quantum numbers n ⩽ 5. Test calculations with these pseudopotentials have been performed for atomic ionization energies.
Atomic and Molecular PhysicsAdvanced Chemical Physics StudiesElectron and X-Ray Spectroscopy TechniquesIonization energyGroup (periodic table)Atomic physicsChemistryIonizationPolarization (electrochemistry)Main group elementQuantumComputational chemistryPhysics
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References
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Medical Entomology and Zoology · 1965 · 5,137 citations
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The Journal of Chemical Physics · 1987 · 3,467 citations
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Chemical Physics Letters · 1982 · 1,002 citations
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