Document Details

Document Type : Article In Journal 
Document Title :
Accurate calculations of second-order vibronic reduction factors for C 60 ions
Accurate calculations of second-order vibronic reduction factors for C 60 ions
 
Subject : Physics 
Document Language : English 
Abstract : An effective Hamiltonian containing Jahn-Teller (JT) first- and second-order vibronic reduction factors (RFs) is a convenient way of modelling the spectroscopic properties of solids and molecules in which vibronic interactions are important. It can act as a bridge between experimental data and basic theory. In particular, second-order RFs can give valuable information on many of the fundamental properties of strongly coupled systems. As interest in the icosahedral fullerene molecules and ions has grown over the last few years, it has become necessary to be able to calculate values for second-order RFs in icosahedral symmetry in terms of more fundamental vibronic coupling parameters. Following on from earlier work on the icosahedral JT system, we present here results of such calculations of the second-order vibronic RFs for the icosahedral , , and JT systems. These systems are relevant for the ground and excited states of C60 anions and cations. The calculations are based on the Franck-Condon approximation followed by additional non-Condon corrections. Previous work has demonstrated that such an approach can give values for the RFs close to those deduced from experiments. 
ISSN : 0953-8984 
Journal Name : Journal of Physics Condensed Matter 
Volume : 17 
Issue Number : 30 
Publishing Year : 1426 AH
2005 AD 
Article Type : Article 
Added Date : Sunday, January 1, 2012 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
فاتن إبراهيم الحازميAl-Hazmi, Faten EResearcherDoctoratefialhazmi@kau.edu.sa
Elie A MoujaesMoujaes, Elie AResearcherDoctorate 
Michel Abou-GhantousAbou-Ghantous, Michel ResearcherDoctorate 
Colin A BatesBates, Colin AResearcherDoctorateColin.Bates@nottingham.ac.uk
Janette L DunnDunn, Janette LResearcherDoctorateJanette.Dunn@nottingham.ac.uk

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