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Pseudopotential approach of the electronic structure in clusters: application to Alkali Halides and Rare Gases

✍ Scribed by Durand, G.; Duplàa, P.; Spiegelmann, F.

Book ID
113044432
Publisher
Springer
Year
1997
Tongue
English
Weight
573 KB
Volume
40
Category
Article
ISSN
1434-6060

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## Abstract The coupled‐cluster variational‐like direct approach to the calculation of ionization and electron attachment energies and of excitation energies is applied to several π‐electron model systems, using the PPP Hamiltonian with various parametrizations. A simple approximation, which repres