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Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition Energies

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Description scientific article published on 09 March 2021
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author: Thomas Niehaus  Julian J Kranz  Marcus Elstner  Sebastian Höfener 

Publication date March 9, 2021
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