X alpha method with theoretically determined parameter α- Exchange parameters α and ionisation energies of multiply charged ions

R. Gaspar, A. Nagy

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Abstract

Ionisation potentials of multiply charged ions have been calculated with the x alpha method using self-consistently determined parameters alpha . Self-consistent ab initio exchange parameters alpha have been determined for several ions. The ionisation energies have been determined by the transition state method of Slater and in a few cases by the method of Williams et al. (1975). The calculated ionisation energies are compared with Hartree-Fock and experimental data and found to be in agreement with them.

Original languageEnglish
Article number012
Pages (from-to)3631-3637
Number of pages7
JournalJournal of Physics B: Atomic and Molecular Physics
Volume20
Issue number15
DOIs
Publication statusPublished - 1987

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ionization
ionization potentials
ions
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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abstract = "Ionisation potentials of multiply charged ions have been calculated with the x alpha method using self-consistently determined parameters alpha . Self-consistent ab initio exchange parameters alpha have been determined for several ions. The ionisation energies have been determined by the transition state method of Slater and in a few cases by the method of Williams et al. (1975). The calculated ionisation energies are compared with Hartree-Fock and experimental data and found to be in agreement with them.",
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AB - Ionisation potentials of multiply charged ions have been calculated with the x alpha method using self-consistently determined parameters alpha . Self-consistent ab initio exchange parameters alpha have been determined for several ions. The ionisation energies have been determined by the transition state method of Slater and in a few cases by the method of Williams et al. (1975). The calculated ionisation energies are compared with Hartree-Fock and experimental data and found to be in agreement with them.

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