Bulletin of the American Physical Society
55th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Monday–Friday, June 3–7, 2024; Fort Worth, Texas
Session F10: GEC Session on Electron and Photon Interactions with Molecules
8:00 AM–10:00 AM,
Wednesday, June 5, 2024
Room: 204AB
Chair: Stephen Hogan, University College London
Abstract: F10.00004 : Many-body theory of positron-molecule interactions*
9:30 AM–10:00 AM
Presenter:
Dermot G Green
(Queen's University Belfast)
Author:
Dermot G Green
(Queen's University Belfast)
Collaboration:
The many-body theory work was performed with my Queen's University Belfast research group members J. Cassidy, B. Cunningham, S. Gregg and J. Hofierka, and with Charles Patterson (Trinity College Dublin).
I will review our many-body theory of positron-molecule interactions and its computational implementation in our EXCITON+ code [1,2]. I will present recent calculations of positron binding energies for polyatomic molecules that gave unprecedented agreement with experiment and provided fundamental insight, e.g., quantifying the roles of distinct correlations and molecular orbitals [1], identifying and explaining trends within molecular families including the effect of halogenation in hydrocarbons [3], and the competing role of dipoles and pi bonds in heterocyclics [4]. I will also discuss its extension to positron scattering [5], and to positronic-bonded molecules [6] (in which two dianions that would otherwise repel are bonded by a positron).
Beyond providing fundamental understanding required to support ongoing experiments and advance antimatter technologies (traps, accumulators, beams and PET), our results provides benchmarks for other methods tackling the computational many-body problem.
[1] J. Hofierka ,..., DGG, Nature 606, 688 (2022).
[2] C. H. Patterson, Phys. Rev. Mater. 3, 043804 (2019).
[3] J. Cassidy, ..., DGG, Phys. Rev. A 109, L040801 (2024).
[4] E. Arthur-Baidoo, ... , DGG, arXiv:2312.02779, Phys. Rev. A (in press).
[5] C. M. Rawlins, ..., DGG, Phys. Rev. Lett. 130, 263001 (2023).
[6] J. Cassidy,..., DGG, J. Chem. Phys. 160, 084304, Emerg. Inv. Spec. Collec. (2024).
*DGG is supported by the European Research Council, Grant no 804383.
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