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- W2018979960 abstract "A time dependent surface hopping formalism is developed for nonadiabatic scattering. Standard semiclasical propagation on single adiabatic surfaces constitutes the zeroth order approximation. Higher order terms include reflections and/or transitions between the adiabatic surfaces with zeroth order propagation occurring between the times when these nonclassical reflections and/or transitions occur. In one dimension this expansion formally satisfies the exact quantum mechanical Schrödinger equation if all terms are retained. In many dimensional problems, the analysis is restricted to the special case involving two adiabatic surfaces and terms which are identified as corrections to the single surface semiclassical propagation are ignored. The resulting nonadiabatic expansion is inherently semiclassical, as opposed to the formally exact one-dimensional case. This time dependent surface hopping formalism is utilized to derive a nonadiabatic generalization of the frozen Gaussian approximation." @default.
- W2018979960 created "2016-06-24" @default.
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- W2018979960 date "1985-04-15" @default.
- W2018979960 modified "2023-10-16" @default.
- W2018979960 title "Nonadiabatic semiclassical scattering. III. Time dependent surface hopping formalism" @default.
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- W2018979960 doi "https://doi.org/10.1063/1.448902" @default.
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