Excitation energies and photoabsorption oscillator strengths of the Rydberg series in C[F.sub.3]Cl. A linear response and quantum defect study

Authors :: Pitarch-Ruiz, J.
de Maras, A. Sanchez
Sanchez-Marin, J.
Mayor, E.
Velasco, A.M.
Martin, I.
Source :: Journal of Physical Chemistry A. May 3, 2007, Vol. 111 Issue 17, p3321, 5 p.
Publication Year :: 2007
Abstract: Vertical excitation energies of the C[F.sub.3]Cl molecule are determined from a response function approach with a coupled cluster (CC) reference function in order to examine the absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The results for the molecular Rydberg transitions have provided better f-values of the isolated Cl atom than the MQDO results.

Subjects :: Chlorine compounds -- Chemical properties
Chlorine compounds -- Atomic properties
Fluorine compounds -- Chemical properties
Fluorine compounds -- Atomic properties
Carbon compounds -- Chemical properties
Carbon compounds -- Atomic properties
Excited state chemistry -- Research
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