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Multidimensional transition-state theory calculations for nuclear dynamics of core-excited molecules
Vise andre og tillknytning
2004 (engelsk)Inngår i: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 70, nr 3Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We have extended the transition-state theory to describe the dynamics of core hole excitation. This allows us to interpret the abnormally bland near-edge x-ray absorption fine structure spectrum of the gas phase benzonitrile molecule at the N 1s edge. We have brought to light different paths for the two most intensive resonances, going from the linear to the bent structure. The profile of each resonance consists of two different vibrational progressions corresponding to stretching modes and a broad continuum of bending excited states.

sted, utgiver, år, opplag, sider
2004. Vol. 70, nr 3
Emneord [en]
auger resonant raman, x-ray-scattering, vibrational structure, photoelectron-spectroscopy, symmetry-breaking, approximation, energies, spectra, excitation, motion
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Identifikatorer
URN: urn:nbn:se:kth:diva-23821DOI: 10.1103/PhysRevA.70.032510ISI: 000224623000068Scopus ID: 2-s2.0-19644401250OAI: oai:DiVA.org:kth-23821DiVA, id: diva2:342520
Merknad
QC 20100525 QC 20110923Tilgjengelig fra: 2010-08-10 Laget: 2010-08-10 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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