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photoabsorption spectra perturbed by atomic hydrogen

✍ Scribed by Lamoudi, N.; Bouledroua, M.; Alioua, K.; Allouche, A.-R.; Aubert-Frécon, M.


Book ID
120378651
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
759 KB
Volume
87
Category
Article
ISSN
1050-2947

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Direct, atomic orbital, static exchange
✍ Hans Ågren; Vincenzo Carravetta; Olav Vahtras; Lars G.M. Pettersson 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 588 KB

We outline a method for static exchange calculations of the photoabsorption spectra of large molecules and clusters, with particular attention to near-edge X-ray absorption tine structures. The static exchange matrices are determined directly from one-and two-electron integrals computed in the atomi