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Application of the independent electron pair approach to the calculation of excitation energies, ionization potentials, and electron affinities of first row atoms

✍ Scribed by Volker Staemmler; Martin Jungen

Publisher
Springer
Year
1975
Tongue
English
Weight
396 KB
Volume
38
Category
Article
ISSN
1432-2234

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## Abstract By making the atomic effective charge self‐consistent with the molecular charge density, it is shown that the PPP method can accurately predict the ionization potential and electron affinity computed as an energy difference of separately minimized ground and ionized states. The calculat