Bulletin of the American Physical Society
52nd Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Volume 66, Number 6
Monday–Friday, May 31–June 4 2021; Virtual; Time Zone: Central Daylight Time, USA
Session Q01: New Physics with Positrons and Positronium
8:00 AM–10:00 AM,
Thursday, June 3, 2021
Chair: Ilya Fabrikant, U. Nebraska - Lincoln
Abstract: Q01.00002 : Many-body theory of positron binding and annihilation in polyatomic molecules*
8:30 AM–9:00 AM
Live
Presenter:
Dermot G Green
(School of Mathematics and Physics, Queen's University Belfast)
Author:
Dermot G Green
(School of Mathematics and Physics, Queen's University Belfast)
In this talk I will discuss an ab initio many-body theory approach to positron-molecule interactions developed in my group capable of calculating binding energies and (direct) annihilation in polyatomic molecules [2]. Specifically, we solve the Dyson equation for the positron quasiparticle wavefunction with self-energy calculated at the GW@BSE + virtual-Positronium + positron-hole T-matrix level, going much beyond current state-of-the-art. Delineating the effects of the distinct correlations, we show that the non-perturbative process of virtual-positronium formation is essential to support binding in non-polar molecules including CS$_2$ and CSe$_2$, and that it significantly enhances binding in organic polar molecules. Overall, we find a delicate interplay of the correlations, which results in binding energies in the best agreement with experiment to date, and in some cases within a few percent accuracy [2]. For non-binding molecules, we calculate the annihilation rate Zeff and find excellent agreement with experiment.
[1] G. F. Gribakin, J. A. Young and C. M. Surko, Rev. Mod. Phys. 82, 2557 (2010).
[2] B. J. Cunningham, J. Horfierka, C. M. Rawlins, C. H. Patterson and D. G. Green, in preparation (2020).
*This work was supported by the European Research Council StG 804383 "ANTI-ATOM".
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