✦ LIBER ✦

Open-shell coupled-cluster method: Electron affinities of Li and Na

✍ Scribed by Uzi Kaldor

Publisher: John Wiley and Sons
Year: 1987
Tongue: English
Weight: 465 KB
Volume: 8
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540080423

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✦ Synopsis

The open-shell coupled-cluster method and the diagrams needed for its implementation are described. The method is applied to the electron ainities of Li and Na, which are calculated in two ways: as the ionization potential of the anions or as the energy of adding the second electron to the cations. The two schemes give essentially the same results, in very good agreement (c0.02 eV) with experiment. Threebody effects are negligible.

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