Einsele R - Search Results

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FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime.

Einsele R, Philipp LN, Mitrić R. Einsele R, et al. J Chem Phys. 2024 Oct 21;161(15):154106. doi: 10.1063/5.0231191. J Chem Phys. 2024. PMID: 39412055

Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB.

Einsele R, Mitrić R. Einsele R, et al. J Chem Theory Comput. 2024 Aug 13;20(15):6587-6603. doi: 10.1021/acs.jctc.4c00539. Epub 2024 Jul 25. J Chem Theory Comput. 2024. PMID: 39051619

Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems.

Einsele R, Hoche J, Mitrić R. Einsele R, et al. J Chem Phys. 2023 Jan 28;158(4):044121. doi: 10.1063/5.0136844. J Chem Phys. 2023. PMID: 36725509

On the quantum and classical control of laser-driven isomerization in the Wigner representation.

Petersen J, Einsele R, Mitrić R. Petersen J, et al. Among authors: einsele r. J Chem Phys. 2021 May 7;154(17):174103. doi: 10.1063/5.0046030. J Chem Phys. 2021. PMID: 34241051

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