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"Analytical excited state forces for the time-dependent density-functional ..."

D. Heringer et al. (2012)

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DOI: 10.1002/JCC.22916

access: closed

type: Journal Article

metadata version: 2020-04-01

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D. Heringer, T. A. Niehaus, Marius Wanko, Thomas Frauenheim:
Analytical excited state forces for the time-dependent density-functional tight-binding method [Journal of Computational Chemistry 28, 2589]. J. Comput. Chem. 33(5): 593 (2012)

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