Mathematics of Computation, Vol. 87, No. 313 (September 2018), pp. 2189-2232 (44 pages) We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix ...
The wavefunction describing the colliding systems being expanded in the usual manner, $$\Psi(\mathbf{r}, \mathbf{R}) = \mathbf{S}_n\psi_n (\mathbf{r})F_n(\mathbf{R ...
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