Abstract
Measured annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons with the vibrational mode spectra yield positron-molecule binding energies. Ab initio many-body theory predictions, which take proper account of electron-positron correlations including virtual-positronium formation, are presented and are found to be in good to excellent agreement with the measured binding energies. The calculations elucidate the competition between permanent dipole moments and bonds in determining the spatial distribution of the bound-state positron density. The implications of these results and the role of multimode features in annihilation in these molecules, including Fermi resonances, are discussed.
3 More- Received 6 March 2024
- Accepted 22 April 2024
DOI:https://doi.org/10.1103/PhysRevA.109.062801
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