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- W2014733489 abstract "The adiabatic potential-energy surface connecting the triplet self-trapped exciton state to up to the third-nearest-neighbor Frenkel pairs is calculated for ${mathrm{Na}}_{18}$${mathrm{F}}_{4}$ clusters using an all electron ab initio Hartree-Fock approach. The correlation effect brings out more details, such as the positions of the nearest-neighbor Frenkel pairs, but does not alter substantially the result of unrestricted Hartree-Fock calculation. No potential barrier larger than 0.2 eV is observed up to the third-nearest-neighbor separation, and it is concluded that the self-trapped excitons can evolve dynamically into stable Frenkel pairs. textcopyright{} 1996 The American Physical Society." @default.
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- W2014733489 date "1996-05-15" @default.
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- W2014733489 title "Decay of the self-trapped exciton and Frenkel-pair formation in NaF: Anabinitiostudy" @default.
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- W2014733489 doi "https://doi.org/10.1103/physrevb.53.12537" @default.
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