Simultaneous Description of Electron and Nuclear Dynamics: A Quantum Approach for Multi-Electron Systems

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Abstract

A new and efficient approach to describe molecular electron and nuclear dynamics simultaneously is presented. The method is tested by the photodissociation of D2 + and allows for a successive extension to multi-electron systems.

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Hoff, P. von den, Geppert, D., & de Vivie-Riedle, R. (2009). Simultaneous Description of Electron and Nuclear Dynamics: A Quantum Approach for Multi-Electron Systems. In Springer Series in Chemical Physics (Vol. 92, pp. 54–56). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-540-95946-5_18

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