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Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory

✍ Scribed by Tanwar, Akhilesh; Fabiano, Eduardo; Trevisanutto, Paolo Emilio; Chiodo, Letizia; Sala, Fabio


Book ID
121337288
Publisher
Springer
Year
2013
Tongue
English
Weight
431 KB
Volume
86
Category
Article
ISSN
1434-6036

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πŸ“œ SIMILAR VOLUMES


Application of many-body rayleigh-schrΓΆd
✍ I. Hubač; V. Kvasnička; A. Holubec πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 326 KB

The ionization potentials and electron affinities are calculated by the use of the many-body Rayleigh-SchrBdinger perturbation theory. This approach is elaborated up to the third order, where each perturbation contribution can be interpreted by the diagrammatic method. Some simple illustrative calcu