Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations

Szymczak, J. J.; Barbatti, M.; Lischka, H.

doi:10.1002/qua.22978

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Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations

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Barbatti, M.
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Szymczak, J. J., Barbatti, M., & Lischka, H. (2011). Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry, 111, 3307-3315. doi:10.1002/qua.22978.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-8CB3-1

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