Quantal wavepacket calculations of reactive scattering

Mohan, V. ; Sathyamurthy, N. (1988) Quantal wavepacket calculations of reactive scattering Computer Physics reports, 7 (5). pp. 213-258. ISSN 0167-7977

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

Related URL: http://dx.doi.org/10.1016/0167-7977(88)90017-2


There has been a renewed interest in the time-dependent quantum mechanical approach to reactive scattering in the last few years. Many of the bottlenecks in numerically solving the time-dependent Schrodinger equation for atom-diatom exchange reactions, collision-induced dissociation and related processes have been removed with the result that it has become a viable alternative (and sometimes preferable) to the time-independent route. We seem to be at the threshold of studying three dimensional atom-diatom collisions the time-dependent way. The different computational methods that have made this possible and the applications that have created such an interest are reviewed here.

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