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On the interpretation of the NEXAFS spectrum of molecular oxygen

✍ Scribed by Hans Ågren; Li Yang; Vincenzo Carravetta; Lars G.M. Pettersson

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
447 KB
Volume
259
Category
Article
ISSN
0009-2614

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✦ Synopsis

Calculations with extended basis sets and full intrachannel coupling of discrete and continuum states suggest an altemative interpretation of the NEXAFS spectrum of molecular oxygen. In this interpretation the roles of valence-Rydberg mixing and intrachannel discrete-continuum interaction are stressed at the expense of the exchange splitting mechanism. Calculations indicate that only the doublet-parent channel holds discrete strong transitions with o-* character, while the quartet-parent channel contains preferentially Rydberg-like transitions.

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