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          Institute: MPI für Dynamik und Selbstorganisation     Collection: Hydrodynamik und Strukturbildung     Display Documents



ID: 307676.0, MPI für Dynamik und Selbstorganisation / Hydrodynamik und Strukturbildung
Spin-orbit mechanism of predissociation in the Wulf band of ozone
Authors:Grebenshchikov, S. Y.; Qu, Z.-W.; Zhu, H.; Schinke, R.
Language:English
Date of Publication (YYYY-MM-DD):2006-07-14
Title of Journal:The Journal of Chemical Physics
Journal Abbrev.:J. Chem. Phys.
Volume:125
Start Page:021102-1
End Page:021102-4
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:Previously calculated resonance widths of the ground vibrational levels in the electronic states 1 3A" (3A2) and 1 3A' (3B2), which belong to the Wulf band system of ozone, are significantly smaller than observed experimentally. We demonstrate that predissociation is drastically enhanced by spin-orbit coupling between 1 3A"/X 1A' and 1 3A'/1 3A". Multistate quantum mechanical calculations using ab initio spin-orbit coupling matrix elements give linewidths of optically bright components of the right order of magnitude.
Free Keywords:ozone; predissociation; vibrational states; spin-orbit interactions; ground states; ab initio calculations
External Publication Status:published
Document Type:Article
Communicated by:Folkert Müller-Hoissen
Affiliations:MPI für Dynamik und Selbstorganisation/Hydrodynamik und Strukturbildung
Identifiers:DOI:10.1063/1.2219444
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