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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00256
Abstract: In optically excited states in molecules and materials, coupling between local electron spins plays an important role for their photoemission properties and is interesting for potential applications in quantum information processing. Recently, it was experimentally…
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Keywords:
spin coupling;
excited states;
coupling optically;
donor acceptor ... See more keywords