ORCID Profile
0000-0001-5626-2067
Current Organisation
Queen's University Belfast
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Publications
Many-body theory of positron binding to polyatomic molecules
Publisher: Springer Science and Business Media LLC
Date: 22-06-2022
DOI: 10.1038/S41586-022-04703-3
Abstract: Positron binding to molecules is key to extremely enhanced positron annihilation and positron-based molecular spectroscopy 1 . Although positron binding energies have been measured for about 90 polyatomic molecules 1–6 , an accurate ab initio theoretical description of positron–molecule binding has remained elusive. Of the molecules studied experimentally, ab initio calculations exist for only six these calculations agree with experiments on polar molecules to at best 25 per cent accuracy and fail to predict binding in nonpolar molecules. The theoretical challenge stems from the need to accurately describe the strong many-body correlations including polarization of the electron cloud, screening of the electron–positron Coulomb interaction and the unique process of virtual-positronium formation (in which a molecular electron temporarily tunnels to the positron) 1 . Here we develop a many-body theory of positron–molecule interactions that achieves excellent agreement with experiment (to within 1 per cent in cases) and predicts binding in formamide and nucleobases. Our framework quantitatively captures the role of many-body correlations and shows their crucial effect on enhancing binding in polar molecules, enabling binding in nonpolar molecules, and increasing annihilation rates by 2 to 3 orders of magnitude. Our many-body approach can be extended to positron scattering and annihilation γ-ray spectra in molecules and condensed matter, to provide the fundamental insight and predictive capability required to improve materials science diagnostics 7,8 , develop antimatter-based technologies (including positron traps, beams and positron emission tomography) 8–10 , and understand positrons in the Galaxy 11 .
Enhancement of antihydrogen formation in antiproton collisions with excited-state positronium
Publisher: IOP Publishing
Date: 07-09-2015
Convergent close-coupling approach to positron scattering on He+
Publisher: Springer Science and Business Media LLC
Date: 04-2018
Many-Body Theory Calculations of Positron Scattering and Annihilation in
Publisher:
American Physical Society (APS)
Date:
30-06-2023
Publisher: American Physical Society (APS)
Date: 30-06-2023
Antihydrogen formation in low-energy antiproton collisions with excited-state positronium atoms
Publisher: Springer Science and Business Media LLC
Date: 02-10-2018
Calculation of antihydrogen formation via antiproton scattering with excited positronium
Publisher: American Physical Society (APS)
Date: 19-01-2016
Many-body theory calculations of positron scattering and annihilation in noble-gas atoms via the solution of Bethe–Salpeter equations using the Gaussian-basis code EXCITON+
Publisher: Frontiers Media SA
Date: 28-09-2023
Two-center convergent close-coupling approach to positron–helium-ion collisions
Publisher: American Physical Society (APS)
Date: 30-01-2018
Antihydrogen Formation via Antiproton Scattering with Excited Positronium
Publisher: American Physical Society (APS)
Date: 08-05-2015
Related Organisations
Queen's University Belfast
Location: United Kingdom of Great Britain and Northern Ireland
Related Funding Activities
No related grants have been discovered for Charlie Rawlins.