Dynamics and excitations of a solvated electron in molecular clusters

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Abstract
A method for investigations of the ground and excited states and the dynamical evolution of coupled quantum-classical systems is presented. A time-dependent self-consistent-field procedure is used where the time evolution of the wave function is evaluated with use of fast Fourier transforms and the coupled classical motion is treated via classical molecular dynamics. Different modes of simulations are demonstrated for electron attachment to NaCl and water clusters.

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