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Bradley F. Habenicht
Researcher at Oak Ridge National Laboratory
Publications - 32
Citations - 1460
Bradley F. Habenicht is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Phonon & Ab initio. The author has an hindex of 20, co-authored 32 publications receiving 1281 citations. Previous affiliations of Bradley F. Habenicht include University of California, Merced & University of Washington.
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Quantum Zeno effect rationalizes the phonon bottleneck in semiconductor quantum dots.
TL;DR: A state-of-the-art time-domain ab initio approach is used to model the observed bottleneck in CdSe quantum dots and show that it occurs under quantum Zeno conditions.
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Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.
TL;DR: It is demonstrated that the potential energy surfaces and nonadiabatic transition probabilities obtained within the TDKS and linear response (LR) time-dependent density functional theories (TDDFT) agree semiquantitatively for three different systems, including an organic chromophore ligating a transition metal, a quantum dot, and a small molecule.
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Nonradiative Quenching of Fluorescence in a Semiconducting Carbon Nanotube: A Time-Domain Ab Initio Study
TL;DR: The decay of the electronic excitation to its ground state is simulated in the (6,4) semiconducting CNT with surface hopping in the Kohn-Sham representation, providing a unique time-domain atomistic description of fluorescence quenching.
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Phonon-induced dephasing of excitons in semiconductor quantum dots: multiple exciton generation, fission, and luminescence.
TL;DR: It is proposed that MEF occurs by phonon-induced dephasing and, for the first time, its time scale is estimated to be 100 fs, which is faster for higher-energy and higher-order excitons and increased temperatures.
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Time-Domain Ab Initio Simulation of Electron and Hole Relaxation Dynamics in a Single-Wall Semiconducting Carbon Nanotube
TL;DR: The electron and hole relaxation in the (7, 0) zigzag carbon nanotube is simulated in time domain using a surface-hopping Kohn-Sham density functional theory and surprisingly, despite a lower density of states, the electrons relax faster than the holes.