uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Nonadiabatic effects in the photoelectron spectra of HCl and DCl. II. Theory
2002 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 65, no 1, 012705- p.Article in journal (Refereed) Published
Abstract [en]

The vibrationally resolved photoelectron spectra of HCl and DCl in the 25-28 eV region were computed using a time-dependent approach for the nuclear dynamics. The spectral features cannot be understood without including a nonadiabatic coupling between the dissociative 3 (2)Sigma(+) state and the bound 4 (2)Sigma(+) state in the adiabatic picture. Alternatively, in the diabatic picture a dissociative two-hole-one-particle state interacts with a bound one-hole state. The molecular system is of intermediate coupling strength, i.e., it cannot be described by a single potential-energy curve. The interaction between a bound and a dissociative state leads to Fano resonances superimposed on a broad back-round, as observed in the experimental spectra [Burmeister et al., Phys. Rev. A 65, 012704 (2001)]. From modified potential-energy curves, all features of the experimental spectra, including Fano resonance parameters and lifetimes, were reproduced. From the simulations we observe that two additional peaks in the experimental DCl spectra should appear if the resolution were to be enhanced to around 10 meV.

Place, publisher, year, edition, pages
2002. Vol. 65, no 1, 012705- p.
URN: urn:nbn:se:uu:diva-144163DOI: 10.1103/PhysRevA.65.012705ISI: 000173273800063OAI: oai:DiVA.org:uu-144163DiVA: diva2:392738
Available from: 2011-01-27 Created: 2011-01-27 Last updated: 2011-01-27

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Karlsson, H O
In the same journal
Physical Review A. Atomic, Molecular, and Optical Physics

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 420 hits
ReferencesLink to record
Permanent link

Direct link