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Davydov-type excitonic effects on the absorption spectra of parallel-stacked and herringbone aggregates of pentacene: Time-dependent density-functional theory and time-dependent density-functional tight binding.
J Chem Phys. 2018 Oct 7;149(13):134111. doi: 10.1063/1.5025624.
J Chem Phys. 2018.
PMID: 30292200
Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction.
Darghouth AAMHM, Casida ME, Zhu X, Natarajan B, Su H, Humeniuk A, Titov E, Miao X, Mitrić R.
Darghouth AAMHM, et al.
J Chem Phys. 2021 Feb 7;154(5):054102. doi: 10.1063/5.0024559.
J Chem Phys. 2021.
PMID: 33557554
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