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Photoabsorption spectra in the continuum of molecules and atomic clusters

✍ Scribed by Nakatsukasa, Takashi; Yabana, Kazuhiro

Book ID
125835282
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
355 KB
Volume
114
Category
Article
ISSN
0021-9606

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Direct, atomic orbital, static exchange
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✍ Hans Γ…gren; Vincenzo Carravetta; Olav Vahtras; Lars G.M. Pettersson πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 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