Crossover of Frenkel and Wannier-Mott Excitons Through Halide Composition Tuning in Mixed Halide Perovskites.
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DOI: 10.1002/smll.202408919
Abstract: Using first-principles G0W0 (G0 is one-electron Green's function and W0 is the dynamical screening Coloumb potential) coupled Bethe-Salpeter equation (BSE) calculations with spin-orbit coupling, exceptionally strong excitonic effects are identified in several bismuth-based vacancy-ordered mixed halide… read more here.
Keywords: mixed halide; halide perovskites; wannier mott; halide ... See more keywords
Radiative decay of HeLi + (b 3 ∑ + )
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DOI: 10.1016/j.chemphys.2017.11.001
Abstract: Abstract Radiative lifetimes of the ro-vibrational bound states of HeLi + ( b 3 ∑ + ) are calculated quantum-mechanically when both bound-bound and bound-free processes are taken into account. The calculations are restricted to… read more here.
Keywords: radiative lifetimes; radiative decay; quantum; decay heli ... See more keywords
Rotationless radiative lifetimes and transition probabilities of some low-lying quintet states of the NS+ cation
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DOI: 10.1016/j.jqsrt.2018.10.034
Abstract: Abstract Recently, the NS+ cation has been detected via spectroscopy as an interstellar species. To determine its transition properties, the potential energy curves of one singlet state and seven quintet states are investigated. For the… read more here.
Keywords: radiative lifetimes; rotationless radiative; quintet states; spectroscopy ... See more keywords
Energy levels, transition dipole moment, transition probabilities and radiative lifetimes for low-lying electronic states of PN
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DOI: 10.1016/j.jqsrt.2019.02.002
Abstract: Abstract The valence internally contracted multireference configuration-interaction (icMRCI) method is used to compute potential energy curves (PECs) of the X1Σ+, A1Π, C1Σ−, D1Δ, 21Π, a3Σ+, b3Π, d3Δ, e3Σ−, 23Δ, 23Σ−, 15Σ+ and 15Π states for… read more here.
Keywords: radiative lifetimes; einstein coefficients; dipole; energy ... See more keywords
Rotationless radiative lifetimes and transition probabilities of the seven lowest-lying doublet states of the AlO radical
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DOI: 10.1016/j.jqsrt.2019.04.007
Abstract: Abstract In this work, we report the potential energy curves for the X2Π, A2Σ+, B2Σ+, G2Δ, G′2Σ-, C2Π, and D2Σ+ states of the AlO radical and the transition dipole moments between these states. The calculations… read more here.
Keywords: radiative lifetimes; rotationless radiative; spectroscopy; alo radical ... See more keywords