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Articles

Influence of Spin-Dependent Polaron Pair Charge Recombination Rates on Singlet Exciton Yields of Fluorescent Organic Light-Emitting Diode Materials

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By Byeong Ki Min, Jiseung Kang, Jeoungmin Ji, Changhyeon Won
| dx.doi.org
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Fermi’s Golden Rule Rate Expression for Transitions Due to Nonadiabatic Derivative Couplings in the Adiabatic Basis

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By Seogjoo Jang, Basile F. E, Seung Kyu, Byeong Ki Min
| dx.doi.org
Special Issue Published as part of the Journal of Chemical Theory and Computation special issue “First-Principles Simulations of Molecular Optoelectronic Materials: Elementary Excitations and Spatiotemporal Dynamics”. Introduction Click to copy section linkSection link copied! Advances in electronic structure calculation and quantum dynamics methods over past decades have made it possible to conduct first-principles dynamics calculation for many molecular systems.
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