Time-dependent wavepacket study of the collinear reaction He+H2+→HeH++H

Balakrishnan, N. ; Sathyamurthy, N. (1995) Time-dependent wavepacket study of the collinear reaction He+H2+→HeH++H Chemical Physics Letters, 240 (1-3). pp. 119-124. ISSN 0009-2614

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0009-2614(95)00514-5

Abstract

State-selected reaction probabilities for the collinear He+H2+(ν)→HeH++H have been computed for ν=0-4 over a wide range of energies (to the dissociation limit), using the time-dependent wavepacket approach via time-energy mapping of the reactive flux. The results reproduce quantitatively the narrow reactive scattering resonances observed in earlier time-independent quantum mechanical results of Sakimoto and Onda [Chem. Phys. Letters 226 (1994) 227] thus demonstrating the viability and reliability of the method for such systems.

Item Type:Article
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