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Showing 1 to 2 of 2 for “"Herman-Kluk"”.
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Conical Intersections and Avoided Crossings of Electronic Energy Levels
… may also be used in further studies with Herman-Kluk propagation and more. Secondly, we study codimension 2 crossings by considering a more general type of wave packet. We focus on the case of Schrödinger equation but our methods are general enough to be adapted to other systems with the …
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The (Semi-)Classical Vibrational Echo
… a formalism for utilising the semiclassical Herman-Kluk propagator in the calculation of nonlinear response functions. Applying this formalism we have demonstrated that, for a thermal ensemble of non-interacting Morse oscillators, nearly quantitatively exact approximations to the quantum …