Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB von Einsele, Richard, Mitrić, Roland

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DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B) von Humeniuk, Alexander, Mitrić, Roland

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Long-range correction for tight-binding TD-DFT von Humeniuk, Alexander, Mitrić, Roland

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Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation von Wenzel, Michael, Mitric, Roland

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Internal conversion rates from the extended thawed Gaussian approximation: Theory and validation von Wenzel, Michael, Mitric, Roland

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FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime von Einsele, Richard, Philipp, Luca Nils, Mitrić, Roland

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A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone von Miao, Xincheng, Diemer, Kira, Mitrić, Roland

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Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State von Karashima, Shutaro, Humeniuk, Alexander, Uenishi, Ryuta, Horio, Takuya, Kanno, Manabu, Ohta, Tetsuro, Nishitani, Junichi, Mitrić, Roland, Suzuki, Toshinori

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On the quantum and classical control of laser-driven isomerization in the Wigner representation von Petersen, Jens, Einsele, Richard, Mitrić, Roland

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Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems von Einsele, Richard, Hoche, Joscha, Mitrić, Roland

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HORTENSIA, a program package for the simulation of nonadiabatic autoionization dynamics in molecules von Issler, Kevin, Mitrić, Roland, Petersen, Jens

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Quantum–classical dynamics of vibration-induced autoionization in molecules von Issler, Kevin, Mitrić, Roland, Petersen, Jens

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Exciton localization in excited-state dynamics of a tetracene trimer: a surface hopping LC-TDDFTB study von Titov, Evgenii, Humeniuk, Alexander, Mitri, Roland

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Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function von Humeniuk, Alexander, Bužančić, Margarita, Hoche, Joscha, Cerezo, Javier, Mitrić, Roland, Santoro, Fabrizio, Bonačić-Koutecký, Vlasta

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Probing ultrafast dynamics during and after passing through conical intersections von Adachi, Shunsuke, Schatteburg, Tom, Humeniuk, Alexander, Mitri, Roland, Suzuki, Toshinori

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Size Dependence of Non-Radiative Decay Rates in J‑Aggregates von Humeniuk, Alexander, Mitrić, Roland, Bonačić-Koutecký, Vlasta

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A trajectory surface hopping study of the vibration-induced autodetachment dynamics of the 1-nitropropane anion von Issler, Kevin, Mitric, Roland, Petersen, Jens

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Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping von Wohlgemuth, Matthias, Mitri, Roland

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The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer von Hoche, Joscha, Schmitt, Hans-Christian, Humeniuk, Alexander, Fischer, Ingo, Mitrić, Roland, Röhr, Merle I S

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Exploring the Excited-State Dynamics of Hydrocarbon Radicals, Biradicals, and Carbenes Using Time-Resolved Photoelectron Spectroscopy and Field-Induced Surface Hopping Simulations von Röder, Anja, Petersen, Jens, Issler, Kevin, Fischer, Ingo, Mitrić, Roland, Poisson, Lionel

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