Probing potential energy curves of C2- by translational energy spectrometry distribution

Gupta, A. K. ; Aravind, G. ; Krishnamurthy, M. (2004) Probing potential energy curves of C2- by translational energy spectrometry distribution Physical Review A: covering atomic, molecular, and optical physics and quantum information, 69 (3). Article ID 035201. ISSN 2469-9926

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Official URL: http://journals.aps.org/pra/abstract/10.1103/PhysR...

Related URL: http://dx.doi.org/10.1103/PhysRevA.69.035201

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 computational 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 2 Σg+ 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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ID Code:102719
Deposited On:02 Feb 2018 04:36
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