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- W2063583177 abstract "Ab initio calculations for the strongly exoergic ${mathrm{Li}}_{2}+mathrm{F}$ harpoon reaction are presented using density-functional theory, complete active space self-consistent field, and multireference configuration interaction methods to argue that this reaction would be an ideal candidate for investigation with ultracold molecules. The lowest six states are calculated with the aug-correlation-consistent polarized valence triple-zeta basis set and at least two can be accessed by a ground rovibronic ${mathrm{Li}}_{2}$ molecule with zero collision energy at all reaction geometries. The large reactive cross section (characteristic of harpoon reactions) and chemiluminescent products are additional attractive features of these reactions." @default.
- W2063583177 created "2016-06-24" @default.
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- W2063583177 date "2010-09-29" @default.
- W2063583177 modified "2023-09-26" @default.
- W2063583177 title "Ab initiopotentials ofF+Li2accessible at ultracold temperatures" @default.
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- W2063583177 doi "https://doi.org/10.1103/physreva.82.032715" @default.
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