The evolution of the wave function in a curve crossing problem computed by a fast Fourier transform method
- 15 April 1988
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 88 (8) , 4957-4966
- https://doi.org/10.1063/1.454707
Abstract
We develop a unitary fast Fourier transform method for solving time dependent curve crossing problems. The procedure is described in detail and is illustrated by calculations for a two curve, one‐dimensional example. The time evolution of the wave function and mean nuclear positions and energies for each curve are shown and discussed.Keywords
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