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- W2940493886 abstract "When a low-energy positron (the antiparticle of the electron) annihilates in a gas of polyatomic molecules, the annihilation rates are found to be several orders of magnitude greater than in a free-electron gas with the same number density. The annihilation rates also display a very strong dependence on the molecular size and remarkable chemical sensitivity. These data remained largely unexplained until a concerted effort of theory and experiment showed that this phenomenon is due to resonant annihilation, in which the positron is captured by the molecule, its excess energy being transferred into molecular vibrations. Key to this process is the existence of positron-molecule bound states. Binding energies ranging from few to few hundred of meV, have now been determined for over seventy molecular species, by measuring energy-resolved annihilation with a trap-based positron beam. By contrast, quantum-chemistry calculations have so far failed to predict positron binding for most of these molecules. Here we construct a simple physical model that allows calculations of positron binding to large polyatomic species and has predictive capability. We find good agreement with experiment, which shows that the positron-molecule potential is largely 'additive' and distributed over the molecule, and its short-range part is just as important as the long-range behaviour determined by the molecular polarizability. This short-range part is very difficult to describe ab initio with the required accuracy, but we parametrize it in a reliable way. This opens the way for calculating positron binding energies, annihilation rates, and gamma spectra for all molecules that have been studied experimentally and for making predictions for other molecules." @default.
- W2940493886 created "2019-05-03" @default.
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- W2940493886 date "2019-04-29" @default.
- W2940493886 modified "2023-09-27" @default.
- W2940493886 title "Positron binding and annihilation in molecules" @default.
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