BARC/PUB/2004/0669

 
 

Probing potential energy curves of C2- by translational energy spectrometry

 
     
 
Author(s)

Gupta, A. K.; Aravind, G.; Krishnamurthy, M.
(NPD)

Source

Physical Review-A, 2004. Vol. 69 (3): pp. 035201.1-035201.4

ABSTRACT

We present studies on collision induced dissociation of C2 with Ar at an impact energy of 15 keV. The C fragment ion kinetic-energy release (KER ) distribution is measured and is used to compute the KER in the center of mass (c.m.) frame (KERc.m.). We employ the reflection method to deduce an effective repulsive potential-energy curve for the molecular anion that is otherwise difficult to evaluate from quantum computa-tional methods. The nuclear wave packet of the molecular ion in the initial ground state is computed by the semiclassical WKB method using the potential-energy curve of the 2Σg+ ground electronic state calculated by an ab initio quantum computation method. The ground-state nuclear wave packet is reflected on a parametrized repulsive potential-energy curve where the parameters are determined by fitting the measured KERc.m. with the calculated KER distribution.

 
 
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